Information card for entry 2000650

Structure parameters

• Chemical name: cis-9a-Methoxy-1,2,3,4,4a,9a,-hexahydrofluoren-9-one oxime
• Formula: C14 H17 N O2
• Calculated formula: C14 H17 N O2
• SMILES: O/N=C/1c2c([C@H]3[C@]1(OC)CCCC3)cccc2.O/N=C/1c2c([C@@H]3[C@@]1(OC)CCCC3)cccc2
• Title of publication: Structure and conformation of <i>cis</i>-9a-methoxy-1,2,3,4,4a,9a-hexahydrofluoren-9-one oxime
• Authors of publication: Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 1734 - 1737
• a: 13.474 ± 0.002 Å
• b: 12.54 ± 0.001 Å
• c: 7.632 ± 0.001 Å
• α: 101.78 ± 0.01°
• β: 95.02 ± 0.01°
• γ: 87.14 ± 0.01°
• Cell volume: 1256.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.0976
• Goodness-of-fit parameter for significantly intense reflections: 2.6728
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No