Information card for entry 7213409

Structure parameters

• Formula: C25 H23 Br F3 N O5
• Calculated formula: C25 H23 Br F3 N O5
• SMILES: Br[C@H]1C(Oc2c([C@@H]1OC(=O)[C@@](OC)(C(F)(F)F)c1ccccc1)c(OC)c1ccccc1n2)(C)C
• Title of publication: Synthesis and absolute stereochemistry assignment of enantiopure dihydrofuro- and dihydropyrano-quinoline alkaloids
• Authors of publication: Boyd, Derek R.; Sharma, Narain D.; Barr, Stephen A.; Carroll, Jonathan G.; Mackerracher, Donald; Malone, John F.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3397
• a: 10.33 ± 0.003 Å
• b: 11.287 ± 0.004 Å
• c: 21.203 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2472.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1472
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No