Information card for entry 1520708

Structure parameters

• Formula: C15 H15 N3 O4
• Calculated formula: C15 H15 N3 O4
• Title of publication: (+)- and (-)-Spiroreticulatine, A Pair of Unusual Spiro Bisheterocyclic Quinoline-imidazole Alkaloids from the South China Sea Sponge Fascaplysinopsis reticulata.
• Authors of publication: Wang, Qi; Tang, Xuli; Luo, Xiangchao; de Voogd, Nicole J.; Li, Pinglin; Li, Guoqiang
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3458 - 3461
• a: 11.4762 ± 0.0003 Å
• b: 7.95324 ± 0.00015 Å
• c: 16.5869 ± 0.0005 Å
• α: 90°
• β: 107.894 ± 0.003°
• γ: 90°
• Cell volume: 1440.7 ± 0.07 ų
• Cell temperature: 294.39 ± 0.1 K
• Ambient diffraction temperature: 294.39 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No