Information card for entry 4026235

Structure parameters

• Chemical name: (R)-N,N'-(3,3'-diallyl-1,1'-binaphthyl-2,2'-diyl)bis(N-allyl- methanesulfonamide)
• Formula: C34 H36 N2 O4 S2
• Calculated formula: C34 H36 N2 O4 S2
• SMILES: S(=O)(=O)(N(c1c(c2ccccc2cc1CC=C)c1c2ccccc2cc(c1N(S(=O)(=O)C)CC=C)CC=C)CC=C)C
• Title of publication: Synthesis and Conformation of Chiral Biheteroaryls
• Authors of publication: Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 3222 - 3230
• a: 10.4123 ± 0.0007 Å
• b: 10.7934 ± 0.0006 Å
• c: 27.6152 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3103.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1128
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No