Information card for entry 7120629

Structure parameters

• Formula: C30 H22 O
• Calculated formula: C30 H22 O
• SMILES: O1c2c(C(c3c1cccc3)c1ccccc1)c(cc1c2cccc1)c1ccc(cc1)C
• Title of publication: Synergistic silver/scandium catalysis for divergent synthesis of skeletally diverse chromene derivatives
• Authors of publication: Jiang, Bo; Liu, Shuai; Chen, Ke; Lan, Xin-Chan; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 6.5067 ± 0.0006 Å
• b: 12.6104 ± 0.0011 Å
• c: 14.302 ± 0.0013 Å
• α: 68.697 ± 0.001°
• β: 85.553 ± 0.002°
• γ: 78.613 ± 0.001°
• Cell volume: 1071.78 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1518
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No