Information card for entry 1552642

Structure parameters

• Common name: hydroxy-des-N-methyl-α-obscurine
• Formula: C16 H24 N2 O2
• Calculated formula: C16 H24 N2 O2
• SMILES: O=C1NC2=C([C@@]34NCCC[C@]4(O)[C@H](C2)C[C@H](C3)C)CC1
• Title of publication: Lycopodium Alkaloids: Lycoplatyrine A, an Unusual Lycodine-Piperidine Adduct from Lycopodium platyrhizoma and the Absolute Configurations of Lycoplanine D and Lycogladine H.
• Authors of publication: Yeap, Joanne Soon-Yee; Lim, Kuan-Hon; Yong, Kien-Thai; Lim, Siew-Huah; Kam, Toh-Seok; Low, Yun-Yee
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 2
• Pages of publication: 324 - 329
• a: 7.3734 ± 0.0002 Å
• b: 11.8187 ± 0.0003 Å
• c: 15.8275 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1379.27 ± 0.06 ų
• Cell temperature: 168 ± 1 K
• Ambient diffraction temperature: 168 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No