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Information card for entry 8102181
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| Coordinates | 8102181.cif |
|---|---|
| External links | ChemSpider |
| Chemical name | (2Z,4E,6E,8E)-4-formyl-2-methoxyphenyl-3,7-dimethyl-9-(2,6,6- trimethylcyclohex-1-enyl) nona-2,4,6,8-tetraenoate |
|---|---|
| Formula | C28 H34 O4 |
| Calculated formula | C28 H34 O4 |
| SMILES | O=C(Oc1c(OC)cc(cc1)C=O)/C=C(\C=C\C=C(\C=C\C1=C(CCCC1(C)C)C)/C)/C |
| Title of publication | Crystal structure of (2Z,4E,6E,8E)-4-formyl-2-methoxy-phenyl-3,7-dimethyl- 9-(2,6,6-trimethylcyclohex-1-enyl) nona-2,4,6,8-tetraenoate, C~28~H~34~O~4~ |
| Authors of publication | Gu, Zheng; Li, Zhi-Zhang; Zhao, Na; Wang, Ying; Yan, Jing; Xiang, Jian-Nan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 4 |
| Pages of publication | 383 - 384 |
| a | 22.235 ± 0.003 Å |
| b | 7.4117 ± 0.001 Å |
| c | 15.99 ± 0.002 Å |
| α | 90° |
| β | 109.253 ± 0.003° |
| γ | 90° |
| Cell volume | 2487.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1299 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.1437 |
| Weighted residual factors for all reflections included in the refinement | 0.1644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.814 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202018 (current) | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8102181.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102181.cif |
| 108390 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102181.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102181.cif |
| 12920 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102181 via cif-deposit CGI script. |
8102181.cif |
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