Information card for entry 2008736

Structure parameters

• Chemical name: 4,4a,4b,5,6,7,9,9a-Octahydro-1,4-methano-7-methyl-5-nitro-1H-fluoren-9-one
• Formula: C15 H17 N O3
• Calculated formula: C15 H17 N O3
• SMILES: O=N(=O)[C@@H]1C[C@@H](C=C2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]3[C@@H]12)C4)C.O=N(=O)[C@H]1C[C@H](C=C2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3[C@H]12)C4)C
• Title of publication: 4,4a,4b,5,6,7,9,9a-Octahydro-1,4-methano-7-methyl-5-nitro-1<i>H</i>-fluoren-9-one
• Authors of publication: Dipakranjan Mal; Nirmal Kumar Hazra; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1129 - 1130
• a: 18.0675 ± 0.0009 Å
• b: 7.7986 ± 0.0004 Å
• c: 9.2847 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1308.23 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No