Information card for entry 7240673

Structure parameters

• Formula: C25 H24 O7
• Calculated formula: C25 H24 O7
• SMILES: O1CC=C(C(=O)OCC)C(C2=C1c1ccccc1C2=O)c1c(OC)c(OC)c(OC)cc1
• Title of publication: Construct indeno[1,2-b]oxepine or cis-cyclopropylacrylate by sulfur ylides
• Authors of publication: Chen, Qinfang; Pan, Yihao; Zhao, Dongxin; Yang, Weiran; Zheng, Jing
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 37
• Pages of publication: 21895 - 21906
• a: 18.8673 ± 0.0016 Å
• b: 10.1312 ± 0.0009 Å
• c: 11.7065 ± 0.0011 Å
• α: 90°
• β: 105.297 ± 0.003°
• γ: 90°
• Cell volume: 2158.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.1674
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No