Information card for entry 4517384

Structure parameters

• Formula: C24 H20 O3
• Calculated formula: C24 H20 O3
• SMILES: O1c2c([C@H](c3ccc(OC)cc3)C[C@]31Oc1c(cccc1)C=C3)cccc2.O1c2c([C@@H](c3ccc(OC)cc3)C[C@@]31Oc1c(cccc1)C=C3)cccc2
• Title of publication: Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids
• Authors of publication: Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 2596 - 2602
• a: 7.712 ± 0.002 Å
• b: 10.915 ± 0.003 Å
• c: 12.298 ± 0.003 Å
• α: 114.959 ± 0.006°
• β: 99.228 ± 0.006°
• γ: 100.157 ± 0.007°
• Cell volume: 891.3 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0868
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No