Information card for entry 1506024

Structure parameters

• Formula: C44 H28 Br3 O6
• Calculated formula: C44 H28 Br3 O6
• Title of publication: Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.
• Authors of publication: Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 2941 - 2944
• a: 34.6386 ± 0.0016 Å
• b: 10.9975 ± 0.0007 Å
• c: 18.8602 ± 0.0009 Å
• α: 90°
• β: 98.613 ± 0.001°
• γ: 90°
• Cell volume: 7103.5 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No