Information card for entry 4114769

Structure parameters

• Chemical name: 1,4-bis(4'-dihexylaminostyryl)benzene
• Formula: C46 H68 N2
• Calculated formula: C46 H68 N2
• Title of publication: Synthesis, Characterization, and Spectroscopy of 4,7,12,15-[2.2]Paracyclophane Containing Donor and Acceptor Groups: Impact of Substitution Patterns on Through-Space Charge Transfer
• Authors of publication: Glenn P. Bartholomew; Guillermo C. Bazan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 5183 - 5196
• a: 22.4743 ± 0.0014 Å
• b: 11.6272 ± 0.0007 Å
• c: 31.793 ± 0.002 Å
• α: 90°
• β: 106.503 ± 0.001°
• γ: 90°
• Cell volume: 7965.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1147
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections: 0.1323
• Weighted residual factors for significantly intense reflections: 0.1
• Goodness-of-fit parameter for all reflections: 0.832
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No