Information card for entry 4127006

Structure parameters

• Formula: C19 H22 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: O[C@]12[C@H]([C@@]34c5c(N=C3[C@](C2=C)(C)CN(C1)CC4)cccc5)C.O[C@@]12C(=C)[C@]3(C4=Nc5ccccc5[C@@]4(CCN(C3)C2)[C@H]1C)C
• Title of publication: Total Synthesis of the Caged Indole Alkaloid Arboridinine Enabled by aza-Prins and Metal-Mediated Cyclizations.
• Authors of publication: Gan, Pei; Pitzen, Jennifer; Qu, Pei; Snyder, Scott A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 8.1493 ± 0.0003 Å
• b: 11.61 ± 0.0004 Å
• c: 16.2904 ± 0.0006 Å
• α: 85.361 ± 0.0012°
• β: 89.388 ± 0.0012°
• γ: 85.8876 ± 0.0014°
• Cell volume: 1532.27 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No