Information card for entry 7112446

Structure parameters

• Formula: C19 H22 N2 O4
• Calculated formula: C19 H22 N2 O4
• Title of publication: Enantioselective formal synthesis of ent-rhynchophylline and ent-isorhynchophylline.
• Authors of publication: Amat, Mercedes; Ramos, Carlos; Pérez, Maria; Molins, Elies; Florindo, Pedro; Santos, Maria M. M.; Bosch, Joan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 1954 - 1956
• a: 19.372 ± 0.008 Å
• b: 6.401 ± 0.003 Å
• c: 14.653 ± 0.008 Å
• α: 90°
• β: 96.56 ± 0.05°
• γ: 90°
• Cell volume: 1805.1 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108896
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No