Information card for entry 4511162

Structure parameters

• Formula: C31 H28 Br2 Cl N O3.5
• Calculated formula: C31 H28 Br2 Cl N O3.5
• Title of publication: Multiple Molecular Recognition Host System using Charge-Transfer Complex of 3,3′-Disubstituted-1,1′-bi-2-naphthol and Methylviologen
• 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: 2009
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 4096
• a: 10.2111 ± 0.0008 Å
• b: 10.7567 ± 0.0009 Å
• c: 13.8409 ± 0.0011 Å
• α: 106.981 ± 0.001°
• β: 90.44 ± 0.001°
• γ: 112.164 ± 0.001°
• Cell volume: 1334.56 ± 0.19 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No