Information card for entry 2224590

Structure parameters

• Chemical name: 6,11-Dihydrodibenz[<i>b</i>,<i>e</i>]oxepin-11-one
• Formula: C14 H10 O2
• Calculated formula: C14 H10 O2
• SMILES: O=C1c2ccccc2OCc2ccccc12
• Title of publication: 6,11-Dihydrodibenz[<i>b</i>,<i>e</i>]oxepin-11-one
• Authors of publication: Jasinski, Jerry P.; Hakim Al-arique, Q. N. M.; Butcher, Ray J.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o159 - o160
• a: 16.5065 ± 0.0018 Å
• b: 4.0806 ± 0.0007 Å
• c: 15.0392 ± 0.0017 Å
• α: 90°
• β: 93.654 ± 0.01°
• γ: 90°
• Cell volume: 1010.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes