Information card for entry 1512278

Structure parameters

• Formula: C23 H21 N3 O4
• Calculated formula: C23 H21 N3 O4
• SMILES: O=C1N([C@H]2C(=O)N[C@@H]1C[C@@]13c4cc(C2)ccc4O[C@H]3N(c2c1cccc2)C(=O)C)C
• Title of publication: Biomimetic Synthesis of ent-(-)-Azonazine and Stereochemical Reassignment of Natural Product.
• Authors of publication: Zhao, Ji-Chen; Yu, Shun-Ming; Liu, Yun; Yao, Zhu-Jun
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 4300 - 4303
• a: 9.755 ± 0.002 Å
• b: 7.3684 ± 0.0015 Å
• c: 13.584 ± 0.003 Å
• α: 90°
• β: 94.78 ± 0.03°
• γ: 90°
• Cell volume: 973 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No