Information card for entry 1501930

Structure parameters

• Chemical name: (R)-5,5'-Bis(diphenylphosphanyl)-1,3,6,8,1',3',6',8'-octahydro- [4,4']bi[2,7-dioxaasindacenyl]
• Formula: C44 H36 O4 P2
• Calculated formula: C44 H36 O4 P2
• SMILES: P(c1c(c2c(c3c1COC3)COC2)c1c(P(c2ccccc2)c2ccccc2)c2COCc2c2COCc12)(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric synthesis of axially chiral biaryl diphosphine ligands by rhodium-catalyzed enantioselective intramolecular double [2 + 2 + 2] cycloaddition.
• Authors of publication: Mori, Fumiya; Fukawa, Naohiro; Noguchi, Keiichi; Tanaka, Ken
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 362 - 365
• a: 8.98499 ± 0.00016 Å
• b: 16.8485 ± 0.0003 Å
• c: 23.4132 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3544.37 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No