Information card for entry 1552638

Structure parameters

• Common name: Conophylline
• 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]%10[C@@H](CN(CC7)[C@H]89)O%10)CC)C(=O)OC)Nc6cc5O4)N4CC[C@@]1(c1cc(c(c(c1N2)OC)OC)O)[C@H]34)O)CC)C(=O)OC.O
• 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: 12.1049 ± 0.0003 Å
• b: 13.7159 ± 0.0003 Å
• c: 12.5767 ± 0.0003 Å
• α: 90°
• β: 106.918 ± 0.002°
• γ: 90°
• Cell volume: 1997.74 ± 0.08 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No