Information card for entry 1553321

Structure parameters

• Formula: C19 H15 N O5
• Calculated formula: C19 H15 N O5
• SMILES: O1c2c(OC1)cc1ccnc(c1c2)C(c1c(O)c2OCOc2cc1)C
• Title of publication: Mucroniferanines A-G, Isoquinoline Alkaloids from Corydalis mucronifera.
• Authors of publication: Zhang, Jun; Zhang, Qing-Ying; Tu, Peng-Fei; Xu, Fu-Chun; Liang, Hong
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 2
• Pages of publication: 364 - 370
• a: 6.93466 ± 0.00008 Å
• b: 9.91657 ± 0.00011 Å
• c: 11.54675 ± 0.00014 Å
• α: 71.8945 ± 0.001°
• β: 84.5865 ± 0.001°
• γ: 75.6285 ± 0.001°
• Cell volume: 730.985 ± 0.016 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No