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Information card for entry 2200665
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| Coordinates | 2200665.cif |
|---|---|
| Structure factors | 2200665.hkl |
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | α-Pinene |
|---|---|
| Chemical name | (1S)-(-)-α-Pinene |
| Formula | C10 H16 |
| Calculated formula | C10 H16 |
| SMILES | [C@H]12C(=CC[C@H](C1(C)C)C2)C |
| Title of publication | (1S)-(-)-α-Pinene |
| Authors of publication | Bond, Andrew D.; Davies, John E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 11 |
| Pages of publication | o1039 - o1040 |
| a | 7.1944 ± 0.0006 Å |
| b | 7.592 ± 0.0003 Å |
| c | 15.919 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 869.49 ± 0.11 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0559 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201973 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/20 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2200665.cif 2200665.hkl |
| 175349 | 2016-02-01 | cif/ hkl/ Adding hkl file for entry 2200665. |
2200665.cif 2200665.hkl |
| 175347 | 2016-02-01 | cif/2/20/ (antanas@echidna.ibt.lt) Adding additional information from the original publication for entry 2200665. |
2200665.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2200665.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2200665.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2200665.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. |
2200665.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/' |
2200665.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2200665.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. |
2200665.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) |
2200665.cif |
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Users of the data should acknowledge the original authors of the
structural data.