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Information card for entry 8107330
Preview
| Coordinates | 8107330.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H16 O4 |
|---|---|
| Calculated formula | C21 H16 O4 |
| SMILES | C1(=O)/C(=C/c2c(c(ccc2)OC)OC)Oc2c1ccc1c2cccc1 |
| Title of publication | The crystal structure of (Z)-2-(2,3-dimethoxybenzylidene)naphtho[1,2-b]furan-3(2H)-one, C21H16O4 |
| Authors of publication | Shin, Soon Young; Ahn, Seunghyun; Koh, Dongsoo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 6 |
| Pages of publication | 1189 - 1191 |
| a | 13.531 ± 0.006 Å |
| b | 8.39 ± 0.003 Å |
| c | 14.288 ± 0.005 Å |
| α | 90° |
| β | 95.322 ± 0.015° |
| γ | 90° |
| Cell volume | 1615.1 ± 1.1 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0784 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1607 |
| Weighted residual factors for all reflections included in the refinement | 0.1795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284425 (current) | 2023-06-09 | cif/ Adding structures of 8107330 via cif-deposit CGI script. |
8107330.cif |
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Users of the data should acknowledge the original authors of the
structural data.