Information card for entry 1553380

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(O)c3[C@]1(CC[C@]2(C[C@@H]12)C(C)C)C
• 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: 7.72842 ± 0.00007 Å
• b: 10.28179 ± 0.0001 Å
• c: 15.3023 ± 0.00015 Å
• α: 90°
• β: 91.9454 ± 0.0009°
• γ: 90°
• Cell volume: 1215.25 ± 0.02 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0564
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No