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Information card for entry 8105532
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Coordinates | 8105532.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H29 N O3 |
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Calculated formula | C23 H29 N O3 |
Title of publication | Crystal structure of methyl 4-(4-isopropylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C23H29NO3 |
Authors of publication | Li, Da; Zhou, Yan; Zhao, Li; Zhang, Hua |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 234 |
Journal issue | 1 |
Pages of publication | 35 - 36 |
a | 9.531 ± 0.005 Å |
b | 19.245 ± 0.011 Å |
c | 11.902 ± 0.007 Å |
α | 90° |
β | 107.003 ± 0.01° |
γ | 90° |
Cell volume | 2088 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 4 |
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 | 0.0959 |
Residual factor for significantly intense reflections | 0.0525 |
Weighted residual factors for significantly intense reflections | 0.1341 |
Weighted residual factors for all reflections included in the refinement | 0.1512 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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276284 (current) | 2022-06-27 | cif/ Adding structures of 8105532 via cif-deposit CGI script. |
8105532.cif |
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Users of the data should acknowledge the original authors of the
structural data.