Information card for entry 1512023

Structure parameters

• Common name: nor-rhazinicine
• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: O=C1n2c3c(c4c(NC(=O)CC[C@@]3(CC)C1)cccc4)cc2
• Title of publication: Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.
• Authors of publication: Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 957 - 964
• a: 13.646 ± 0.003 Å
• b: 8.3619 ± 0.0017 Å
• c: 14.658 ± 0.003 Å
• α: 90°
• β: 115.775 ± 0.011°
• γ: 90°
• Cell volume: 1506.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1554
• Residual factor for significantly intense reflections: 0.1416
• Weighted residual factors for significantly intense reflections: 0.3237
• Weighted residual factors for all reflections included in the refinement: 0.3423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No