Information card for entry 4024844

Structure parameters

• Formula: C23 H21 F3 N2 O4
• Calculated formula: C23 H23 F3 N2 O4
• SMILES: N(N1[C@@H](C(C)C)COC1=O)(C(=O)C(F)(F)F)[C@H]1[C@@H](C=C)COc2c1c1ccccc1cc2
• Title of publication: Asymmetric Synthesis of Aminochromanes via Intramolecular Indium-Mediated Allylation of Chiral Hydrazones
• Authors of publication: Debasis Samanta; Robert B. Kargbo; Gregory R. Cook
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7183 - 7186
• a: 8.3448 ± 0.0017 Å
• b: 14.71 ± 0.003 Å
• c: 17.722 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2175.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1373
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No