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Information card for entry 8107679
Preview
Coordinates | 8107679.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H10 O2 |
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Calculated formula | C10 H10 O2 |
SMILES | c1c(ccc2CCCC(=O)c12)O |
Title of publication | Crystal structure of 7-hydroxy-3,4-dihydronaphthalen-1(2H)-one, C10H10O2 |
Authors of publication | Jiang, Boye; Hou, Yun; Zhao, Feng-Lan; Meng, Qing-Guo |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2023 |
Journal volume | 238 |
Journal issue | 6 |
Pages of publication | 1123 - 1125 |
a | 16.6341 ± 0.0014 Å |
b | 7.4319 ± 0.0004 Å |
c | 14.8943 ± 0.001 Å |
α | 90° |
β | 123.243 ± 0.008° |
γ | 90° |
Cell volume | 1540 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0431 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.0997 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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287779 (current) | 2023-11-24 | cif/ Adding structures of 8107679 via cif-deposit CGI script. |
8107679.cif |
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