Information card for entry 2007952

Structure parameters

• Chemical name: 1,4,4a,4b,5,6,7,8,8a,9a-Decahydro-8,8a-epoxy-1,4-methano-7-methyl-5- nitro fluoren-9(9H)-one
• Formula: C15 H17 N O4
• Calculated formula: C15 H17 N O4
• SMILES: O=C1[C@]23O[C@H]2[C@H](C[C@@H](N(=O)=O)[C@@H]3[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1)C.O=C1[C@@]23O[C@@H]2[C@@H](C[C@H](N(=O)=O)[C@H]3[C@H]2[C@@H]1[C@H]1C=C[C@@H]2C1)C
• Title of publication: 1,9a-Epoxy-1,2,3,4,4a,4b,5,8,8a,9a-decahydro-2-methyl-4-nitro-5,8-methano-9<i>H</i>-fluoren-9-one
• Authors of publication: fun, Hoong-Kun; Chinnakali, Kandasamy; Hazra, Nirmal Kumar; Mal, Dipakranjan; Nigam, Gur Dayal; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1925 - 1927
• a: 11.532 ± 0.0002 Å
• b: 11.2967 ± 0.0002 Å
• c: 10.3406 ± 0.0002 Å
• α: 90°
• β: 96.312 ± 0.001°
• γ: 90°
• Cell volume: 1338.94 ± 0.04 ų
• 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: 0.066
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.132
• Weighted residual factors for significantly intense reflections: 0.119
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No