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Information card for entry 2018264
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| Coordinates | 2018264.cif |
|---|---|
| Structure factors | 2018264.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | cyclohexylaminium hydrogen phthalate hemihydrate |
|---|---|
| Chemical name | cyclohexylaminium 2-carboxybenzoate hemihydrate |
| Formula | C14 H20 N O4.5 |
| Calculated formula | C14 H20 N O4.5 |
| SMILES | OC(=O)c1ccccc1C(=O)[O-].[NH3+]C1CCCCC1.O |
| Title of publication | Self-assembled supramolecular sheet- and channel-type frameworks in the <i>p</i>-phenetidinium hydrogen phthalate and cyclohexylaminium hydrogen phthalate hemihydrate salts |
| Authors of publication | Jagan, R.; Sivakumar, K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o373 - o377 |
| a | 16.9402 ± 0.0004 Å |
| b | 14.1463 ± 0.0003 Å |
| c | 11.6407 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2789.59 ± 0.1 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0841 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018264.cif 2018264.hkl |
| 180851 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/82. |
2018264.cif 2018264.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2018264.cif 2018264.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018264.cif 2018264.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018264.cif 2018264.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2018264.cif 2018264.hkl |
| 29370 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2018263, 2018264 via cif-deposit CGI script. |
2018264.cif |
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