Information card for entry 7202700

Structure parameters

• Formula: C14 H14 O6
• Calculated formula: C14 H14 O6
• SMILES: C1(=O)C(=CC(=O)C=C1)OC.c1(ccc(cc1OC)O)O
• Title of publication: Self-organization of the 2-methoxyquinhydrone charge transfer complex in polar planes
• Authors of publication: Marcel Bouvet; Bernard Malézieux; Patrick Herson; Françoise Villain
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 270
• a: 7.8386 ± 0.001 Å
• b: 12.791 ± 0.003 Å
• c: 13.187 ± 0.002 Å
• α: 90°
• β: 99.17 ± 0.011°
• γ: 90°
• Cell volume: 1305.3 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.2296
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections: 0.1282
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0526
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No