Information card for entry 7131591

Structure parameters

• Formula: C32 H30 O4
• Calculated formula: C32 H30 O4
• SMILES: O=C(c1ccccc1)[C@@H]1[C@H]([C@@H](c2ccccc2C1)c1c(OC)cc(OC)cc1OC)c1ccccc1.O=C(c1ccccc1)[C@H]1[C@@H]([C@H](c2ccccc2C1)c1c(OC)cc(OC)cc1OC)c1ccccc1
• Title of publication: Visible-light-induced oxidant/additive-free atom-economic synthesis of multifunctionalized cyclopropanes <i>via</i> energy transfer.
• Authors of publication: Gore, Babasaheb Sopan; Wang, Jeh-Jeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 39
• Pages of publication: 5878 - 5881
• a: 16.1917 ± 0.0002 Å
• b: 13.3905 ± 0.0002 Å
• c: 24.2721 ± 0.0004 Å
• α: 90°
• β: 105.782 ± 0.002°
• γ: 90°
• Cell volume: 5064.17 ± 0.14 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No