Information card for entry 8107308

Structure parameters

• Formula: C16 H14 Cl2 O6
• Calculated formula: C16 H14 Cl2 O6
• SMILES: C12(C=C(C(=O)C=C1c1cc(cc(c1C(=O)O2)O)OC)O)C.C(Cl)Cl
• Title of publication: The crystal structure of 3,7-dihydroxy-9-methoxy-4a-methyl-4aH-benzo[c] chromene-2,6-dione —dichloromethane (1/1), C16H14Cl2O6
• Authors of publication: Liu, Juan; Chen, Sai; Wang, Meng; Yuan, Wei-Hua; Li, Honglei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1117 - 1118
• a: 8.9847 ± 0.0019 Å
• b: 18.284 ± 0.004 Å
• c: 11.107 ± 0.003 Å
• α: 90°
• β: 115.942 ± 0.002°
• γ: 90°
• Cell volume: 1640.8 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No