Information card for entry 1506190

Structure parameters

• Formula: C94 H70 Cl8
• Calculated formula: C94 H70 Cl8
• Title of publication: Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.
• Authors of publication: Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 22
• Pages of publication: 5029 - 5032
• a: 10.4953 ± 0.0002 Å
• b: 12.5604 ± 0.0002 Å
• c: 18.7166 ± 0.0003 Å
• α: 93.594 ± 0.001°
• β: 102.2 ± 0.001°
• γ: 106.121 ± 0.001°
• Cell volume: 2297.33 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1719
• Residual factor for significantly intense reflections: 0.139
• Weighted residual factors for significantly intense reflections: 0.3195
• Weighted residual factors for all reflections included in the refinement: 0.3486
• Goodness-of-fit parameter for all reflections included in the refinement: 2.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No