Information card for entry 1503135

Structure parameters

• Formula: C36 H22 O4
• Calculated formula: C36 H22 O4
• SMILES: O=C1c2ccccc2Oc2c1c1c(c(c2c2ccccc2)c2ccccc2)cc(cc1)C(=O)c1c(O)cccc1
• 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: 9.799 ± 0.002 Å
• b: 11.072 ± 0.002 Å
• c: 13.689 ± 0.003 Å
• α: 70.157 ± 0.004°
• β: 78.535 ± 0.004°
• γ: 70.146 ± 0.004°
• Cell volume: 1308.1 ± 0.5 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: 0.074
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No