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Information card for entry 4513556
Preview
| Coordinates | 4513556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4 |
|---|---|
| Formula | C15 H10 O5.5 |
| Calculated formula | C15 H10 O5.572 |
| Title of publication | Insight into the Phase Transformation among Various Solid Forms of Baicalein |
| Authors of publication | Zhu, Bingqing; Wang, Jian-Rong; Mei, Xuefeng |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 10 |
| Pages of publication | 4959 |
| a | 3.8097 ± 0.0002 Å |
| b | 19.903 ± 0.0011 Å |
| c | 16.2375 ± 0.0008 Å |
| α | 90° |
| β | 97.83 ± 0.004° |
| γ | 90° |
| Cell volume | 1219.72 ± 0.11 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 | 0.1593 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4513556.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4513556.cif |
| 170036 | 2015-11-06 | cif/ Updating files of 4513554, 4513555, 4513556 Original log message: Adding full bibliography for 4513554--4513556.cif. |
4513556.cif |
| 153897 | 2015-09-03 | cif/ Adding structures of 4513556 via cif-deposit CGI script. |
4513556.cif |
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Users of the data should acknowledge the original authors of the
structural data.