Information card for entry 8000036

Structure parameters

• Formula: C51 H43 N7 O6
• Calculated formula: C51 H43 N7 O6
• SMILES: O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1)c1nc(ccc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1
• Title of publication: Helical Stereocontrol of 2,6-Bis{(2-arylcarbamoylphenyl)carbamoyl}pyridine Derivatives by Use of Chiral Auxiliaries
• Authors of publication: Tatsuya Minami; Shigeru Koyamoto; Masayuki Kobayashi; Rika Tanaka; Yasuo Hatanaka
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 434
• a: 20.673 ± 0.002 Å
• b: 11.733 ± 0.002 Å
• c: 18.113 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4393 ± 1 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.807
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No