Information card for entry 2200317

Structure parameters

• Chemical name: 7-phenyl-5H-dibenz[c,e]azepine N-oxide
• Formula: C20 H15 N O
• Calculated formula: C20 H15 N O
• SMILES: O=N1=C(c2c(c3c(C1)cccc3)cccc2)c1ccccc1
• Title of publication: 7-Phenyl-5<i>H</i>-dibenz[<i>c</i>,<i>e</i>]azepine <i>N</i>-oxide
• Authors of publication: Gould, Robert O.; Krieger, Matthias; Sharp, John T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o521 - o523
• a: 11.206 ± 0.0017 Å
• b: 9.3052 ± 0.001 Å
• c: 14.4925 ± 0.0018 Å
• α: 90°
• β: 101.979 ± 0.008°
• γ: 90°
• Cell volume: 1478.3 ± 0.3 ų
• Cell temperature: 220 ± 1 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No