Information card for entry 1503677

Structure parameters

• Formula: C17 H17 N O6
• Calculated formula: C17 H17 N O6
• SMILES: N1([C@H]2[C@]3(O)c4cc5OCOc5cc4C(=O)O[C@@H]3[C@@H](O)C=C2CC1)C
• Title of publication: Pancratium canariense as an important source of amaryllidaceae alkaloids.
• Authors of publication: Cedrón, Juan C; Oberti, Juan C.; Estévez-Braun, Ana; Ravelo, Angel G.; Del Arco-Aguilar, Marcelino; López, Matías
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 112 - 116
• a: 8.163 ± 0.004 Å
• b: 8.22 ± 0.005 Å
• c: 11.652 ± 0.008 Å
• α: 100.21 ± 0.11°
• β: 101.26 ± 0.09°
• γ: 91.22 ± 0.07°
• Cell volume: 753.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No