Information card for entry 1503850

Structure parameters

• Formula: C12 H17 N O
• Calculated formula: C12 H17 N O
• SMILES: O=C(NCc1ccccc1)C(C)(C)C
• Title of publication: New sterically driven mode for generation of helical chirality.
• Authors of publication: Ueki, Hisanori; Soloshonok, Vadim A.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1797 - 1800
• a: 11.599 ± 0.002 Å
• b: 11.489 ± 0.002 Å
• c: 17.193 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2291.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No