Information card for entry 2014411

Structure parameters

• Chemical name: (±)-1-Methyl-1,3,6-triphenyl-7-(2-phenylpropenyl)-1,2-dihydronaphthalene
• Formula: C38 H32
• Calculated formula: C38 H32
• SMILES: C1(c2c(C=C(C1)c1ccccc1)cc(c(c2)/C=C(/c1ccccc1)C)c1ccccc1)(c1ccccc1)C
• Title of publication: (±)-1-Methyl-1,3,6-triphenyl-7-(2-phenylpropenyl)-1,2-dihydronaphthalene
• Authors of publication: Sui, Yongqiang; Barnes, Charles; Glaser, Rainer
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o98 - o100
• a: 16.7069 ± 0.0007 Å
• b: 7.8826 ± 0.0003 Å
• c: 21.2218 ± 0.0008 Å
• α: 90°
• β: 104.129 ± 0.001°
• γ: 90°
• Cell volume: 2710.23 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No