Information card for entry 7245034

Structure parameters

• Formula: C36 H36 O4
• Calculated formula: C36 H36 O4
• SMILES: Oc1c(cc([C@H]2[C@@]3([C@H](Oc4c2cccc4)c2ccccc2)C(=O)Oc2c3cccc2)cc1C(C)(C)C)C(C)(C)C.Oc1c(cc([C@@H]2[C@]3([C@@H](Oc4c2cccc4)c2ccccc2)C(=O)Oc2c3cccc2)cc1C(C)(C)C)C(C)(C)C
• Title of publication: Diastereoselective synthesis of chroman bearing spirobenzofuranone scaffolds via oxa-Michael/1,6-conjugated addition of para-quinone methides with benzofuranone-type olefins
• Authors of publication: Qin, Hongmei; Xie, Qimei; He, Long
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 26
• Pages of publication: 16684 - 16687
• a: 9.7854 ± 0.0006 Å
• b: 11.703 ± 0.0007 Å
• c: 13.8373 ± 0.0009 Å
• α: 67.015 ± 0.003°
• β: 89.202 ± 0.003°
• γ: 85.046 ± 0.003°
• Cell volume: 1453.03 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No