Information card for entry 7218901

Structure parameters

• Formula: C13 H8 O2
• Calculated formula: C13 H8 O2
• SMILES: O1c2c(C(=O)c3c1cccc3)cccc2
• Title of publication: FeCl3and ether mediated direct intramolecular acylation of esters and their application in efficient preparation of xanthone and chromone derivatives
• Authors of publication: Jiang, Neng; Li, Su-Yi; Xie, Sai-Sai; Yao, Hequan; Sun, Hongbin; Wang, Xiao-Bing; Kong, Ling-Yi
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 109
• Pages of publication: 63632
• a: 4.8978 ± 0.0014 Å
• b: 13.654 ± 0.005 Å
• c: 14.129 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 944.9 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No