Information card for entry 2003227

Structure parameters

• Chemical name: 1-methoxy-5-oxo-11-azabenzo[b]fluorene-11-oxide
• Formula: C17 H11 N O3
• Calculated formula: C17 H11 N O3
• SMILES: c1(OC)cccc2C(=O)c3cc4ccccc4n(=O)c3c12
• Title of publication: 4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base
• Authors of publication: Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 462 - 465
• a: 21.023 ± 0.001 Å
• b: 14.907 ± 0.001 Å
• c: 8.2059 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2571.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.0825
• Goodness-of-fit parameter for all reflections: 1.087
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No