Information card for entry 7120628

Structure parameters

• Formula: C29 H22 O2
• Calculated formula: C29 H22 O2
• SMILES: [C@@]12(c3ccccc3C=C(O1)c1ccccc1)Oc1c([C@@H](C2)c2ccccc2)cccc1.[C@]12(c3ccccc3C=C(O1)c1ccccc1)Oc1c([C@H](C2)c2ccccc2)cccc1
• 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: 10.2056 ± 0.0008 Å
• b: 9.38 ± 0.0007 Å
• c: 22.1929 ± 0.0019 Å
• α: 90°
• β: 93.263 ± 0.001°
• γ: 90°
• Cell volume: 2121 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0894
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No