Information card for entry 2208675

Structure parameters

• Chemical name: 2,2,7,7-Tetraphenyl-2,7-dihydrodibenzo[c,e]oxepine
• Formula: C38 H28 O
• Calculated formula: C38 H28 O
• SMILES: C1(OC(c2ccccc2)(c2ccccc2)c2c(cccc2)c2c1cccc2)(c1ccccc1)c1ccccc1
• Title of publication: 2,2,7,7-Tetraphenyl-2,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine
• Authors of publication: Rueping, Magnus; Ieawsuwan, Winai; Bru Roig, Miriam; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1478 - o1479
• a: 13.6436 ± 0.0017 Å
• b: 11.5482 ± 0.0009 Å
• c: 17.1442 ± 0.0019 Å
• α: 90°
• β: 90.306 ± 0.01°
• γ: 90°
• Cell volume: 2701.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.152
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes