Information card for entry 4025737

Structure parameters

• Chemical name: (dl)-tert-Butyl 2'-(hydroxydiphenylmethyl)-1,1'-binaphthyl-2-ylcarbamate
• Formula: C38 H33 N O3
• Calculated formula: C38 H33 N O3
• SMILES: C(=O)(Nc1c(c2ccccc2cc1)c1c(ccc2ccccc12)C(c1ccccc1)(c1ccccc1)O)OC(C)(C)C
• Title of publication: Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive-Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene
• Authors of publication: Takumi Furuta; Junya Yamamoto; Yuki Kitamura; Ayano Hashimoto; Hyuma Masu; Isao Azumaya; Toshiyuki Kan; Takeo Kawabata
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 7010 - 7013
• a: 19.296 ± 0.001 Å
• b: 11.2886 ± 0.0006 Å
• c: 26.8332 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5844.9 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.099
• 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