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Information card for entry 8107068
Preview
| Coordinates | 8107068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 O2 |
|---|---|
| Calculated formula | C10 H8 O2 |
| Title of publication | Crystal structure of 3-methyl-2H-chromen-2-one, C10H8O2 |
| Authors of publication | Fan-Xin, Zeng; Xu-Liang, Nie; Xin-Chen, Shang-guan; Zhong-Ping, Yin; Da-Yong, Peng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 975 - 976 |
| a | 6.524 ± 0.003 Å |
| b | 17.561 ± 0.009 Å |
| c | 6.989 ± 0.004 Å |
| α | 90° |
| β | 100.058 ± 0.007° |
| γ | 90° |
| Cell volume | 788.4 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0817 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282512 (current) | 2023-04-07 | cif/ Adding structures of 8107068 via cif-deposit CGI script. |
8107068.cif |
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Users of the data should acknowledge the original authors of the
structural data.