Information card for entry 1552640

Structure parameters

• Common name: Polyervinine
• Formula: C43 H46 N4 O10
• Calculated formula: C43 H46 N4 O10
• SMILES: C12=C(C[C@@]3([C@@H]([C@@H]4[C@@H](c5cc6[C@]78C(=C(C[C@@]9([C@H]%10[C@@H](CN(CC7)[C@H]89)O%10)CC)C(=O)OC)Nc6cc5O4)N4CC[C@@]1(C1=CC(=O)C(=O)C(=C1N2)OC)[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: 11.0126 ± 0.0004 Å
• b: 15.0348 ± 0.0011 Å
• c: 23.3914 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3873 ± 0.4 ų
• Cell temperature: 142 ± 5 K
• Ambient diffraction temperature: 142 ± 5 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: 0.0878
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No