Information card for entry 2008315

Structure parameters

• Chemical name: 5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[b]fluoren-11-one-oxime
• Formula: C20 H19 N O3
• Calculated formula: C20 H19 N O3
• SMILES: O(c1c2c(c(OC)c3/C(=N/O)[C@@H]4[C@@H]5C=C[C@H]([C@@H]4c13)C5)cccc2)C.O(c1c2c(c(OC)c3/C(=N/O)[C@H]4[C@H]5C=C[C@@H]([C@H]4c13)C5)cccc2)C
• Title of publication: 5,10-Dimethoxy-1,4-methano-1,4,4a,11a-tetrahydrobenzo[<i>b</i>]fluoren-11-one oxime
• Authors of publication: Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Nirmal Kumar Hazra; Sujit Kumar Ghorai; Gur Dayal Nigam
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 585 - 586
• a: 8.8166 ± 0.0006 Å
• b: 9.9326 ± 0.0006 Å
• c: 9.9764 ± 0.0006 Å
• α: 76.875 ± 0.002°
• β: 76.582 ± 0.001°
• γ: 74.331 ± 0.001°
• Cell volume: 805.52 ± 0.09 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 all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No