Information card for entry 1504817

Structure parameters

• Common name: Bipleiophylline
• Formula: C49 H52 N4 O9
• Calculated formula: C49 H52 N4 O9
• SMILES: O(C(=O)[C@H]1N2[C@]34OC(=O)c5c(O)c6O[C@@]78N9c%10c([C@@]8(c6cc5[C@@]4(CCN4[C@H]3C[C@H]1C(=C\C)/C4)c1ccccc21)CCN1[C@H]7C[C@H]([C@H]9C(=O)OC)/C(=C\C)C1)cccc%10)C.OCC
• Title of publication: Bipleiophylline, an unprecedented cytotoxic bisindole alkaloid constituted from the bridging of two indole moieties by an aromatic spacer unit.
• Authors of publication: Kam, Toh-Seok; Tan, Shin-Jowl; Ng, Seik-Weng; Komiyama, Kanki
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 17
• Pages of publication: 3749 - 3752
• a: 9.1602 ± 0.0001 Å
• b: 9.9973 ± 0.0002 Å
• c: 12.4147 ± 0.0002 Å
• α: 79.119 ± 0.001°
• β: 81.756 ± 0.001°
• γ: 72.924 ± 0.001°
• Cell volume: 1062.55 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No