Information card for entry 2012229

Structure parameters

• Chemical name: 1,4-Methano-11a-methyl-2,3,4,4a,11,11a-hexahydro-1H-benzo[b]fluoren-11-one
• Formula: C19 H16 O
• Calculated formula: C19 H16 O
• SMILES: O=C1c2cc3ccccc3cc2[C@@H]2[C@H]3C[C@@H]([C@]12C)C=C3.O=C1c2cc3ccccc3cc2[C@H]2[C@@H]3C[C@H]([C@@]12C)C=C3
• Title of publication: 1,4-Methano-11a-methyl-4,4a,11,11a-tetrahydro-1<i>H</i>-benzo[<i>b</i>]fluoren-11-one
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Sujit K. Ghorai; Dipakranjan Mal; Hoong-Kun Fun; Gur Dayal Nigam
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1118 - 1119
• a: 6.2303 ± 0.0001 Å
• b: 20.561 ± 0.0003 Å
• c: 10.7476 ± 0.0002 Å
• α: 90°
• β: 96.665 ± 0.001°
• γ: 90°
• Cell volume: 1367.48 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes