Information card for entry 1512280

Structure parameters

• Formula: C25 H21 F6 N3 O5
• Calculated formula: C25 H21 F6 N3 O5
• SMILES: FC(F)(F)COC1(OCC(F)(F)F)C=C2[C@@]34c5cc(C[C@H]6N(C(=O)[C@H](NC6=O)C4)C)ccc5O[C@H]3N=C2C=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: 12.216 ± 0.002 Å
• b: 7.8934 ± 0.0016 Å
• c: 13.14 ± 0.003 Å
• α: 90°
• β: 113.92 ± 0.03°
• γ: 90°
• Cell volume: 1158.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No