Information card for entry 7104244

Structure parameters

• Common name: Antiostatin A1
• Formula: C20 H24 N2 O2
• Calculated formula: C20 H24 N2 O2
• SMILES: [nH]1c2c(c(c(c(c2c2ccccc12)NC(=O)C)O)C)CCCCC
• Title of publication: First total synthesis of antiostatin A1, a potent carbazole-based naturally occurring antioxidant.
• Authors of publication: Alayrac, Carole; Schollmeyer, Dieter; Witulski, Bernhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 1464 - 1466
• a: 4.9084 ± 0.0002 Å
• b: 24.3209 ± 0.0012 Å
• c: 14.339 ± 0.0008 Å
• α: 90°
• β: 90.069 ± 0.003°
• γ: 90°
• Cell volume: 1711.74 ± 0.15 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No