Information card for entry 2207451

Structure parameters

• Chemical name: 1,4-diphenylbutane
• Formula: C16 H18
• Calculated formula: C16 H18
• SMILES: C(Cc1ccccc1)CCc1ccccc1
• Title of publication: 1,4-Diphenylbutane
• Authors of publication: Michel Fleck; Walter Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4099 - o4100
• a: 5.787 ± 0.001 Å
• b: 8.776 ± 0.002 Å
• c: 12.617 ± 0.003 Å
• α: 90°
• β: 91.25 ± 0.03°
• γ: 90°
• Cell volume: 640.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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: 0.0602
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes