Information card for entry 7131593

Structure parameters

• Formula: C23 H18 O
• Calculated formula: C23 H18 O
• SMILES: O1[C@@H]2c3ccccc3[C@@H]3[C@@]1(c1ccccc1)[C@@H]3[C@H]2c1ccccc1.O1[C@H]2c3ccccc3[C@H]3[C@]1(c1ccccc1)[C@H]3[C@@H]2c1ccccc1
• 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: 16.1546 ± 0.0003 Å
• b: 5.9286 ± 0.0001 Å
• c: 16.4487 ± 0.0003 Å
• α: 90°
• β: 94.338 ± 0.002°
• γ: 90°
• Cell volume: 1570.85 ± 0.05 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No