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Information card for entry 7217677
Preview
| Coordinates | 7217677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | crotonlaevin P |
|---|---|
| Formula | C20 H30 O3 |
| Calculated formula | C20 H30 O3 |
| SMILES | C1CCC([C@@H]2CC=C3[C@@H]([C@@]12C)C[C@@H]([C@](C=C)(C)O)OC3=O)(C)C |
| Title of publication | Labdane-Type Diterpenoids from Croton laevigatus |
| Authors of publication | Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| a | 6.519 ± 0.002 Å |
| b | 17.905 ± 0.006 Å |
| c | 31.128 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3633 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1383 |
| Residual factor for significantly intense reflections | 0.0809 |
| Weighted residual factors for significantly intense reflections | 0.1654 |
| Weighted residual factors for all reflections included in the refinement | 0.194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180507 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/76. |
7217677.cif |
| 170883 | 2015-12-08 | cif/ Excluding '_exptl_crystal_density_meas' tags, apparently having copied values of '_exptl_crystal_colour' tag (value of '_exptl_crystal_density_method' is often 'not measured'). Adding value for '_exptl_crystal_colour' if it is missing. Changing 'colorless' -> 'colourless' since the tag '_exptl_crystal_colour' name uses standard UK spelling. |
7217677.cif |
| 121886 | 2014-08-12 | cif/ Adding structures of 7217671, 7217672, 7217673, 7217674, 7217675, 7217676, 7217677 via cif-deposit CGI script. |
7217677.cif |
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