Information card for entry 7218009

Structure parameters

• Formula: C34 H34
• Calculated formula: C34 H34
• SMILES: c1(ccccc1)C(=CC=C(c1ccccc1)c1ccccc1)c1ccccc1.C1CCCCC1
• Title of publication: Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene
• Authors of publication: Bacchi, A.; Brillante, A.; Crocco, D.; Chierotti, M. R.; Della Valle, R. G.; Girlando, A.; Masino, M.; Pelagatti, P.; Venuti, E.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 8205
• a: 8.846 ± 0.003 Å
• b: 8.839 ± 0.003 Å
• c: 10.016 ± 0.003 Å
• α: 74.927 ± 0.006°
• β: 64.092 ± 0.005°
• γ: 68.128 ± 0.006°
• Cell volume: 649.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216735
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No