Information card for entry 1507191

Structure parameters

• Formula: C21 H20 N2 O2
• Calculated formula: C21 H20 N2 O2
• SMILES: N1(C(=O)C2=C(O[C@@H]3Nc4c([C@]23CC1)cccc4)C)Cc1ccccc1.N1(C(=O)C2=C(O[C@H]3Nc4c([C@@]23CC1)cccc4)C)Cc1ccccc1
• Title of publication: Construction of Polycyclic Spiro-indolines via an Intramolecular Oxidative Coupling/Cyclization Cascade Reaction Process.
• Authors of publication: Fan, Feng; Xie, Weiqing; Ma, Dawei
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1405 - 1407
• a: 16.3943 ± 0.0018 Å
• b: 13.1063 ± 0.0014 Å
• c: 16.7797 ± 0.0018 Å
• α: 90°
• β: 106.895 ± 0.002°
• γ: 90°
• Cell volume: 3449.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No