Information card for entry 2014051

Structure parameters

• Chemical name: (P,M)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[c,e]oxepine
• Formula: C40 H32 O
• Calculated formula: C40 H32 O
• SMILES: Cc1cccc2c1c1c(C)cccc1C(OC2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (<i>P</i>,<i>M</i>)-1,2,3,9,10,11-Hexamethoxy-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine and (<i>P</i>,<i>M</i>)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine
• Authors of publication: Linden, Anthony; Furegati, Markus; Rippert, Andreas J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o223 - o225
• a: 16.6918 ± 0.0004 Å
• b: 9.6863 ± 0.0003 Å
• c: 17.5921 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2844.32 ± 0.14 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes