Information card for entry 7230747

Structure parameters

• Formula: C16 H11 Br
• Calculated formula: C16 H11 Br
• Title of publication: Synthesis, aggregation induced emission and through space conjugation of triphenylvinylphenyl substituted [2.2]paracyclophane-1,9-diene
• Authors of publication: Yu, Chin-Yang; Lai, Yu-Chun
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 35
• Pages of publication: 19341
• a: 13.883 ± 0.0016 Å
• b: 11.6713 ± 0.0013 Å
• c: 7.3807 ± 0.0008 Å
• α: 90°
• β: 92.738 ± 0.004°
• γ: 90°
• Cell volume: 1194.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No