Information card for entry 4128159

Structure parameters

• Common name: MLH-B1-115
• Chemical name: sarpong135
• Formula: C26 H28 N2 O
• Calculated formula: C26 H28 N2 O
• SMILES: [C@@]12([C@](C(=O)C[C@@H]3C(c4cccc5c4c(c(C(C=C1)(C)C)[nH]5)[C@@H]23)(C)C)(C)C=C)C#N
• Title of publication: Total Synthesis of Pentacyclic (-)-Ambiguine P Using Sequential Indole Functionalizations.
• Authors of publication: Johnson, Rebecca E.; Ree, Hwisoo; Hartmann, Marco; Lang, Laura; Sawano, Shota; Sarpong, Richmond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2233 - 2237
• a: 9.217 ± 0.0003 Å
• b: 12.9842 ± 0.0004 Å
• c: 17.6732 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2115.05 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.046
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No