Information card for entry 1504128

Structure parameters

• Common name: Leucophylline
• Formula: C42 H52 N4 O3
• Calculated formula: C42 H52 N4 O3
• SMILES: c12c(c(C=C)c3cc(c(cc3n1)O)[C@@H]1C[C@]3(CCCN4CCc5c([C@@H]34)n1c1c5cccc1)CC)C[C@]1(CCCN2C1)CC.C(=O)(C)OCC
• Title of publication: Leucophyllidine, a cytotoxic bisindole alkaloid constituted from the union of an eburnan and a new vinylquinoline alkaloid.
• Authors of publication: Gan, Chew-Yan; Robinson, Ward T.; Etoh, Tadahiro; Hayashi, Masahiko; Komiyama, Kanki; Kam, Toh-Seok
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 3962 - 3965
• a: 12.7151 ± 0.0003 Å
• b: 8.5294 ± 0.0003 Å
• c: 17.2463 ± 0.0005 Å
• α: 90°
• β: 108.811 ± 0.002°
• γ: 90°
• Cell volume: 1770.5 ± 0.09 ų
• Cell temperature: 117 ± 2 K
• Ambient diffraction temperature: 117 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No