Information card for entry 7110820

Structure parameters

• Chemical name: Tetra(p-bromophenyl)ethylene * xylene (3)
• Formula: C34 H26 Br4
• Calculated formula: C34 H26 Br4
• SMILES: Brc1ccc(C(=C(c2ccc(Br)cc2)c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.c1(ccc(cc1)C)C
• Title of publication: Chiral inclusion crystallization of tetra(p-bromophenyl)ethylene by exposure to the vapor of achiral guest molecules: a novel racemic-to-chiral transformation through gas–solid reaction
• Authors of publication: Tanaka, Koichi; Fujimoto, Daisuke; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 413
• a: 8.762 ± 0.001 Å
• b: 14.942 ± 0.002 Å
• c: 23.472 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3073 ± 0.8 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.136
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK?a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No