Information card for entry 4025736

Structure parameters

• Chemical name: (dl)-2'-(tert-Butoxycarbonylamino)-1,1'-binaphthyl-2-carboxylic acid ?
• Formula: C26 H23 N O4
• Calculated formula: C26 H23 N O4
• SMILES: C(=O)(Nc1ccc2ccccc2c1c1c(ccc2ccccc12)C(=O)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: 9.5527 ± 0.0014 Å
• b: 10.1375 ± 0.0015 Å
• c: 14.453 ± 0.002 Å
• α: 103.724 ± 0.002°
• β: 97.607 ± 0.002°
• γ: 112.59 ± 0.001°
• Cell volume: 1215.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0638
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No