Information card for entry 7155931

Structure parameters

• Formula: C17 H15 Br2 N O2
• Calculated formula: C17 H15 Br2 N O2
• SMILES: Brc1ccc(N[C@@H]2c3cc(Br)ccc3O[C@@H]3OCC[C@H]23)cc1
• Title of publication: Brønsted Acids of Anionic Chiral Co(III) Complexes as Catalysts for the Stereoselective Synthesis of cis-4-Aminofuranobenzopyrans
• Authors of publication: Jiang, Hua-Jie; Liu, Kun; Wang, Jing; Li, Na; Yu, Jie
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 6.1907 ± 0.0001 Å
• b: 15.2739 ± 0.0003 Å
• c: 17.2701 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632.99 ± 0.05 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No