Information card for entry 1552639

Structure parameters

• Common name: Conophyllinine
• Formula: C44 H52 N4 O11
• Calculated formula: C44 H52 N4 O11
• SMILES: C12=C(C[C@@]3([C@@H]([C@@H]4[C@@H](c5cc6[C@]78C(=C(C[C@@]9([C@@H]([C@H](CN(CC7)[C@H]89)O)O)CC)C(=O)OC)Nc6cc5O4)N4CC[C@@]1(c1cc(c(c(c1N2)OC)OC)O)[C@H]34)O)CC)C(=O)OC
• Title of publication: Conolodinines A-D, Aspidosperma- Aspidosperma Bisindole Alkaloids with Antiproliferative Activity from Tabernaemontana corymbosa.
• Authors of publication: Sim, Dawn Su-Yin; Navanesan, Suerialoasan; Sim, Kae-Shin; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 4
• Pages of publication: 850 - 858
• a: 30.7488 ± 0.0004 Å
• b: 30.7488 ± 0.0004 Å
• c: 14.4242 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11810.8 ± 0.3 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No