Information card for entry 1503136

Structure parameters

• Formula: C35 H28 O7
• Calculated formula: C35 H20 O7
• SMILES: O=C1c2cc(ccc2Oc2c1c1c(c(O)c2c2ccccc2)cc(cc1)C(=O)c1c(O)cccc1)C.O=C(OCC)C
• Title of publication: An efficient approach to functionalized benzo[a]xanthones through reactions of 2-methyl-3-(1-alkynyl)chromones with electron-deficient chromone-fused dienes.
• Authors of publication: Gong, Jian; Xie, Fuchun; Chen, Hong; Hu, Youhong
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 17
• Pages of publication: 3848 - 3851
• a: 7.0113 ± 0.0015 Å
• b: 11.773 ± 0.003 Å
• c: 17.526 ± 0.004 Å
• α: 88.586 ± 0.004°
• β: 84.72 ± 0.004°
• γ: 81.072 ± 0.004°
• Cell volume: 1423 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.159
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No