Information card for entry 4128158

Structure parameters

• Common name: PIDAsidepdt
• Formula: C27 H32 Cl2 N2 O
• Calculated formula: C27 H32 Cl2 N2 O
• SMILES: C=C[C@]1(C)CC[C@H]2C(C)(C)c3cccc4c3[C@]35[C@@H]2[C@@]1(C(=O)N5)C=CC(C)(C)C3=N4.C(Cl)Cl.C=C[C@@]1(C)CC[C@@H]2C(C)(C)c3cccc4c3[C@@]35[C@H]2[C@]1(C(=O)N5)C=CC(C)(C)C3=N4.C(Cl)Cl
• 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: 9.9276 ± 0.0001 Å
• b: 10.7525 ± 0.0001 Å
• c: 12.9548 ± 0.0001 Å
• α: 99.713 ± 0.001°
• β: 104.856 ± 0.001°
• γ: 110.259 ± 0.001°
• Cell volume: 1202.35 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No