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Information card for entry 2007407
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Coordinates | 2007407.cif |
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Original IUCr paper | HTML |
Chemical name | 3,4,4a,5,6,7,8,8a-octahydro-8a-hydroxy-2-quinolone |
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Formula | C9 H15 N O2 |
Calculated formula | C9 H15 N O2 |
SMILES | O=C1N[C@@]2(O)CCCC[C@@H]2CC1.O=C1N[C@]2(O)CCCC[C@H]2CC1 |
Title of publication | 3,4,4a,5,6,7,8,8a-Octahydro-8a-hydroxy-2-quinolone and its 8a-Hydroperoxy Derivative |
Authors of publication | Stefano Alini; Attilio Citterio; Alessandra Farina; Maria Cristina Fochi; Luciana Malpezzi |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1998 |
Journal volume | 54 |
Journal issue | 7 |
Pages of publication | 1000 - 1003 |
a | 14.574 ± 0.008 Å |
b | 6.5096 ± 0.0016 Å |
c | 10.103 ± 0.005 Å |
α | 90° |
β | 109.82 ± 0.04° |
γ | 90° |
Cell volume | 901.7 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.034 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.105 |
Weighted residual factors for all reflections included in the refinement | 0.107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2007407.html
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