Information card for entry 1553379

Structure parameters

• Formula: C29 H35 N O3
• Calculated formula: C29 H35 N O3
• SMILES: O1c2c(C=CC1(C)C)c1[nH]c3c(c1cc2C)cc(OC)c(OC1(CC=C(CC1)C)C(C)C)c3
• Title of publication: LC-MS-Guided Isolation of Insulin-Secretion-Promoting Monoterpenoid Carbazole Alkaloids from Murraya microphylla.
• Authors of publication: Ma, Xiao-Li; Li, Jun; Zheng, Jiao; Gu, Xiao-Pan; Ferreira, Daneel; Zjawiony, Jordan K.; Zhao, Ming-Bo; Guo, Xiao-Yu; Tu, Peng-Fei; Jiang, Yong
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 11
• Pages of publication: 2371 - 2380
• a: 12.9258 ± 0.0001 Å
• b: 18.5966 ± 0.0002 Å
• c: 20.6239 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4957.49 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.2998
• Weighted residual factors for all reflections included in the refinement: 0.3396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No