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Information card for entry 7206094
Preview
| Coordinates | 7206094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H39 N O4 |
|---|---|
| Calculated formula | C33 H39 N O4 |
| Title of publication | Photo-induced structural changes in two crystal forms with different numbers of independent molecules |
| Authors of publication | Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 13 |
| Pages of publication | 4332 |
| a | 9.375 ± 0.002 Å |
| b | 10.734 ± 0.003 Å |
| c | 29.95 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3013.9 ± 1.2 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.072 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1433 |
| Weighted residual factors for all reflections included in the refinement | 0.1563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206094.cif |
| 180391 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/60. |
7206094.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206094.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206094.cif |
| 23521 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206094, 7206095, 7206096, 7206097, 7206098, 7206099, 7206100, 7206101, 7206102, 7206103, 7206104, 7206105, 7206106, 7206107, 7206108, 7206109 via cif-deposit CGI script. |
7206094.cif |
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Users of the data should acknowledge the original authors of the
structural data.