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Information card for entry 9001991
Preview
| Coordinates | 9001991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Mineral name | Hartite |
|---|---|
| Formula | C20 H34 |
| Calculated formula | C20 H34.5 |
| SMILES | C1(CCC[C@]2([C@@H]3CC[C@H]4C[C@]3(CC[C@H]12)C[C@H]4C)C)(C)C |
| Title of publication | Hartite from Bilina |
| Authors of publication | Bouska, Vladimir; Cisarova, Ivana; Skala, Roman; Dvorak, Zdenek; Zelinka, Jaroslav; Zak, Karel |
| Journal of publication | American Mineralogist |
| Year of publication | 1998 |
| Journal volume | 83 |
| Journal issue | 11-12 |
| Pages of publication | 1340 - 1346 |
| a | 11.407 Å |
| b | 20.952 Å |
| c | 7.406 Å |
| α | 93.941° |
| β | 100.75° |
| γ | 80.499° |
| Cell volume | 1713.8 Å3 |
| Number of distinct elements | 2 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291269 (current) | 2024-04-18 | cif/9: Inserting Z values for entries in the 9 range |
9001991.cif |
| 202019 | 2017-10-14 | cif/ Marking COD entries in range 9 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
9001991.cif |
| 190333 | 2017-01-10 | cif/9/00/19/ (antanas@echidna.ibt.lt) Correcting a data item name ('_journal_paper_issue' -> '_journal_issue'). |
9001991.cif |
| 188014 | 2016-11-07 | cif/9/00/19 Inverting the sign of the x coordinate for atom 'C072' in entry 9001991. This results in bond lengths matching the ones described in the original publication. |
9001991.cif |
| 188013 | 2016-11-07 | cif/9/00/19 Marking attached hydrogen atoms in entry 9001991. |
9001991.cif |
| 188012 | 2016-11-07 | cif/9/00/19 Updating bibliography for entry 9001991. |
9001991.cif |
| 188011 | 2016-11-07 | cif/9/00/19 Correcting the coordinates of atom 'C133' in entry 9001991 after consulting the original publication. |
9001991.cif |
| 85285 | 2013-05-05 | cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs. |
9001991.cif |
| 35913 | 2012-02-28 | cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised. |
9001991.cif |
| 20519 | 2011-06-11 | smi/* and cif/* Adding SMILES for all structures with nel=1 in the mysql entries, supossed to be pure elements. For most of them, just the element symbol remains since SMILES strings and substructure search makes no sense for compact packed structures. Only for molecularly defined substances (for example cyclosulphur moieties) a proper SMILES string has been defined. This does not add too much funcionality to substructure search but flags a large number of structures as "SMILES done". Some of them were found to be not pure elements (carbides, boranes, hydrocarbons) but were added anyway. CIF files and SQL entries have been fixed for these as well as for other with obviously wrong formulas. |
9001991.cif |
| 1210 | 2010-06-10 | cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers. |
9001991.cif |
| 1071 | 2010-04-10 | cif/9/ Updating COD entries from AMCSD, processed in the AMCSD-resynchronisation-2009.06.24/ directory. Entries are updated if they could be unambiguously mapped to a unique COD number by automatic search scripts in AMCSD-resynchronisation-2009.06.24/. |
9001991.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
9001991.cif |
| 255 | 2008-03-10 | Redepositing all AMCSD (9*series) COD CIF files. This redeposition regenerates AMCSD (9* series) files, 10011 entries total, from the original source CIF file cifdata.cif found on the CD received from Armel. Most importantly, the truncated formulas seem to be corrected. The files are not folded, i.e. they have lines longer than 80 characters (conforming CIF 1.1 specification, but not CIF 1.0 specification), and are otherwise syntactically correct. Some missing coordinates were fixed manually, restoring them from the AMCSD site, and non-ASCII symbols were fixed automatically during filtering. After the redeposition, the cifs-with-errors.lst was regenerated using the following command: find -name \*.cif \ | xargs -n1 -iI sh -c 'vcif -l 2048 I || echo I' \ | grep -vE 'CIF|ERR' \ | sort > cifs-with-errors.lst & |
9001991.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
9001991.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
9001991.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
9001991.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
9001991.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.