Information card for entry 7202371

Structure parameters

• Formula: C53 H41 O5
• Calculated formula: C53 H41 O5
• Title of publication: Varied charge-transfer complex crystals formed between diols and benzoquinone in the solid and solution states
• Authors of publication: Kuroda, Reiko; Sato, Tomohiro; Imai, Yoshitane
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1881
• a: 20.684 ± 0.002 Å
• b: 10.3021 ± 0.001 Å
• c: 19.5142 ± 0.001 Å
• α: 90°
• β: 109.332 ± 0.001°
• γ: 90°
• Cell volume: 3923.8 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No