Information card for entry 4503660

Structure parameters

• Formula: C34 H27 Cl O4
• Calculated formula: C34 H27 Cl O4
• Title of publication: Preparation and Crystal Structure of Guest-Dependent Charge-Transfer Host System Using 1,1′-Bi-2-naphthol and 2-Chloro-5-methyl-benzoquinone
• Authors of publication: Imai, Yoshitane; Kamon, Kensaku; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 3493
• a: 14.4557 ± 0.0009 Å
• b: 12.8781 ± 0.0008 Å
• c: 14.0147 ± 0.0009 Å
• α: 90°
• β: 94.171 ± 0.001°
• γ: 90°
• Cell volume: 2602.1 ± 0.3 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No