Information card for entry 7151265

Structure parameters

• Formula: C29 H24 N3 O2 P
• Calculated formula: C29 H24 N3 O2 P
• SMILES: P(=O)(C1=C(O[C@H](C1)[C@@H](N=N#N)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.
• Authors of publication: Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 16
• Pages of publication: 3108 - 3112
• a: 8.4713 ± 0.0003 Å
• b: 8.5479 ± 0.0003 Å
• c: 17.4621 ± 0.0006 Å
• α: 83.267 ± 0.002°
• β: 83.693 ± 0.002°
• γ: 74.518 ± 0.002°
• Cell volume: 1206.09 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No