Information card for entry 4083809

Structure parameters

• Formula: C42 H40 O2 P2
• Calculated formula: C42 H40 O2 P2
• SMILES: P12C(=C([C@](C1)(C(=C2[C@@H](O)[C@H](O)C1=C([C@@]2(C(=C(P1C2)c1ccccc1)C)C)c1ccccc1)c1ccccc1)C)C)c1ccccc1.P12C(=C([C@@](C1)(C(=C2[C@H](O)[C@@H](O)C1=C([C@]2(C(=C(P1C2)c1ccccc1)C)C)c1ccccc1)c1ccccc1)C)C)c1ccccc1
• Title of publication: C2-BIPNOR: An Easily Accessible Homologue of BIPNOR for Asymmetric Catalysis
• Authors of publication: Siutkowski, Magali; Mercier, François; Ricard, Louis; Mathey, François
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2585
• a: 10.572 ± 0.001 Å
• b: 13.172 ± 0.001 Å
• c: 13.501 ± 0.001 Å
• α: 86.396 ± 0.001°
• β: 67.056 ± 0.001°
• γ: 87.169 ± 0.001°
• Cell volume: 1727.3 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No