Information card for entry 1506022

Structure parameters

• Formula: C33 H22 Br2 O3
• Calculated formula: C33 H22 Br2 O3
• 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: 9.5126 ± 0.0006 Å
• b: 9.8661 ± 0.0014 Å
• c: 14.6056 ± 0.0012 Å
• α: 82.553 ± 0.005°
• β: 83.598 ± 0.002°
• γ: 78.989 ± 0.007°
• Cell volume: 1328.9 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No