Information card for entry 1514507

Structure parameters

• Formula: C27 H19 N3
• Calculated formula: C27 H19 N3
• SMILES: N1c2c(cccc2)[C@]([C@H]1c1c2ccccc2[nH]c1)(C#N)c1cc2c(cc1)cccc2.N1c2c(cccc2)[C@@]([C@@H]1c1c2ccccc2[nH]c1)(C#N)c1cc2c(cc1)cccc2
• Title of publication: Cation-directed enantioselective synthesis of quaternary-substituted indolenines
• Authors of publication: Li, Meiling; Woods, Philip A.; Smith, Martin D.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 2907
• a: 12.6892 ± 0.0003 Å
• b: 9.9361 ± 0.0003 Å
• c: 16.3936 ± 0.0004 Å
• α: 90°
• β: 102.515 ± 0.0017°
• γ: 90°
• Cell volume: 2017.81 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.138
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9481
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No