Information card for entry 7213408

Structure parameters

• Formula: C25 H29 N O6
• Calculated formula: C25 H29 N O6
• SMILES: O1C([C@H](OC(=O)[C@]23OC(=O)[C@](CC2)(C3(C)C)C)Cc2c(=O)n(C)c3ccccc3c12)(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: 8.12 ± 0.021 Å
• b: 12.457 ± 0.019 Å
• c: 12.139 ± 0.019 Å
• α: 90°
• β: 101.18 ± 0.17°
• γ: 90°
• Cell volume: 1205 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2036
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.3195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No