Information card for entry 1503704

Structure parameters

• Formula: C43 H52 N4 O7
• Calculated formula: C43 H52 N4 O7
• SMILES: O1[C@H]2[C@]3(CN4CC[C@@]56C(=C(C[C@@]2(CC1)[C@H]46)C(=O)OC)Nc1c5cccc1)C[C@H]1[C@]2(O)N(c4c([C@]52CCN2CC[C@@H]6OCC[C@]6(C1)[C@@H]52)cccc4OC)C3.O
• Title of publication: Biscarpamontamines A and B, an aspidosperma-iboga bisindole alkaloid and an aspidosperma-aspidosperma bisindole alkaloid, from Tabernaemontana sphaerocarpa.
• Authors of publication: Zaima, Kazumasa; Hirata, Tomoko; Hosoya, Takahiro; Hirasawa, Yusuke; Koyama, Koichiro; Rahman, Abdul; Kusumawati, Idha; Zaini, Noor Cholies; Shiro, Motoo; Morita, Hiroshi
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 9
• Pages of publication: 1686 - 1690
• a: 11.273 ± 0.0002 Å
• b: 12.2662 ± 0.0002 Å
• c: 13.8488 ± 0.0007 Å
• α: 90°
• β: 110.912 ± 0.0007°
• γ: 90°
• Cell volume: 1788.83 ± 0.1 ų
• Cell temperature: 93.1 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 significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No