Information card for entry 7114431

Structure parameters

• Formula: C26 H18 O4
• Calculated formula: C26 H18 O4
• SMILES: c1(c(ccc2ccccc12)O)c1c(ccc2ccccc12)O.C1(=O)C=CC(=O)C=C1
• Title of publication: Generation of a co-crystal phase with novel coloristic properties via solid state grinding procedures
• Authors of publication: Kuroda, Reiko; Imai, Yoshitane; Tajima, Nobuo
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2848
• a: 14.4794 ± 0.0018 Å
• b: 15.6712 ± 0.0018 Å
• c: 15.7247 ± 0.0019 Å
• α: 69.792 ± 0.002°
• β: 66.635 ± 0.002°
• γ: 71.762 ± 0.002°
• Cell volume: 3009.1 ± 0.6 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No