Information card for entry 7013653

Structure parameters

• Formula: C55 H64 O5 P2
• Calculated formula: C55 H64 O5 P2
• SMILES: P(Oc1ccccc1C(C)(C)C)(Oc1ccccc1C(C)(C)C)c1cccc2c1Oc1c(C2(C)C)cccc1P(Oc1ccccc1C(C)(C)C)Oc1ccccc1C(C)(C)C
• Title of publication: Coordination chemistry and X-ray studies with novel sterically constrained diphosphonite ligands
• Authors of publication: van der Vlugt, Jarl Ivar; Sablong, Rafael; Mills, Allison M.; Kooijman, Huub; Spek, Anthony L.; Meetsma, Auke; Vogt, Dieter
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4690
• a: 12.2735 ± 0.0006 Å
• b: 14.0431 ± 0.0007 Å
• c: 15.0026 ± 0.0007 Å
• α: 79.592 ± 0.001°
• β: 73.871 ± 0.001°
• γ: 89.752 ± 0.001°
• Cell volume: 2440.3 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No