Information card for entry 1551812

Structure parameters

• Formula: C20 H20 O5
• Calculated formula: C20 H20 O5
• SMILES: O1c2cc3C[C@H](O)[C@@](Cc3cc2OC1)(c1c(c2OCOc2cc1)C)C.O1c2cc3C[C@@H](O)[C@](Cc3cc2OC1)(c1c(c2OCOc2cc1)C)C
• Title of publication: X-ray Structure Analysis of (dl)-DeN-Corynoline, Derived from Hexahydorobenzo[c]phenanthridine Type Alkaloid Corynoline
• Authors of publication: KAMIGAUCHI, Miyoko; IN, Yasuko; ISHIDA, Toshimasa
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2009
• Journal volume: 25
• Pages of publication: 27
• a: 13.435 ± 0.003 Å
• b: 23.358 ± 0.003 Å
• c: 10.139 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3181.8 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No