Information card for entry 4038415

Structure parameters

• Formula: C18 H23 N O7
• Calculated formula: C18 H23 N O7
• SMILES: O([C@@H]1N=C(c2c(O)ccc(O)c2)C[C@@]23CC[C@@H](O)[C@@]12COC3=O)C.OC.O([C@H]1N=C(c2c(O)ccc(O)c2)C[C@]23CC[C@H](O)[C@]12COC3=O)C.OC
• Title of publication: Meroapplanins A–E, Five Meroterpenoids with A 2,3,4,5-Tetrahydropyridine Motif from Ganoderma applanatum.
• Authors of publication: Peng, Xing-Rong; Shi, Qiangqiang; Yang, Jing; Su, Haiguo; Zhou, Lin; Qiu, Ming-Hua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 7.3016 ± 0.0003 Å
• b: 9.599 ± 0.0003 Å
• c: 13.3084 ± 0.0005 Å
• α: 72.04 ± 0.001°
• β: 82.871 ± 0.001°
• γ: 71.691 ± 0.001°
• Cell volume: 842.01 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0432
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.884
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No