Information card for entry 1512279

Structure parameters

• Formula: C25 H21 F6 N3 O5
• Calculated formula: C25 H21 F6 N3 O5
• SMILES: CN1C(=O)[C@@H]2NC(=O)[C@H]1Cc1ccc3c([C@]4(C2)[C@@H](N=C2C4=CC(OCC(F)(F)F)(OCC(F)(F)F)C=C2)O3)c1
• 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: 8.495 Å
• b: 14.253 Å
• c: 39.77 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4815.32 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No