Information card for entry 7131590

Structure parameters

• Formula: C48 H32 Cl2 N2 O2
• Calculated formula: C48 H32 Cl2 N2 O2
• 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: 8.2282 ± 0.0003 Å
• b: 14.8841 ± 0.0007 Å
• c: 14.9762 ± 0.0005 Å
• α: 90°
• β: 101.424 ± 0.003°
• γ: 90°
• Cell volume: 1797.79 ± 0.12 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No