Information card for entry 1552591

Structure parameters

• Formula: C21 H21 N O6
• Calculated formula: C21 H21 N O6
• SMILES: O([C@H]1O[C@H](c2c1c1OCOc1cc2)[C@H]1N(CCc2c1cc1OCOc1c2)C)C
• Title of publication: Phthalideisoquinoline Hemiacetal Alkaloids from <i>Corydalis decumbens</i> That Inhibit Spontaneous Calcium Oscillations, Including Alkyl Derivatives of (+)-Egenine That Are Strikingly Levorotatory.
• Authors of publication: Zhang, Chun-Lei; Huang, Qi-Long; Chen, Juan; Zhang, Wan-Jin; Jin, Hai-Xiao; Wang, Hong-Bo; Naman, C. Benjamin; Cao, Zheng-Yu
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 10
• Pages of publication: 2713 - 2720
• a: 19.261 ± 0.0009 Å
• b: 6.1061 ± 0.0003 Å
• c: 16.8271 ± 0.001 Å
• α: 90°
• β: 114.67 ± 0.006°
• γ: 90°
• Cell volume: 1798.4 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0409
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No