Information card for entry 7150098

Structure parameters

• Formula: C17 H16 O2
• Calculated formula: C17 H16 O2
• SMILES: O=C([C@@H]1[C@H](C1)[C@H](O)c1ccccc1)c1ccccc1.O=C([C@H]1[C@@H](C1)[C@@H](O)c1ccccc1)c1ccccc1
• Title of publication: Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.
• Authors of publication: Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 630 - 637
• a: 13.165 ± 0.0008 Å
• b: 28.102 ± 0.002 Å
• c: 7.2735 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2690.9 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No