Information card for entry 1503848

Structure parameters

• Formula: C11 H15 N O
• Calculated formula: C11 H15 N O
• SMILES: O=C(NCc1ccccc1)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: 4.8696 ± 0.0016 Å
• b: 10.082 ± 0.003 Å
• c: 10.611 ± 0.003 Å
• α: 82.277 ± 0.005°
• β: 84.935 ± 0.005°
• γ: 78.256 ± 0.005°
• Cell volume: 504.4 ± 0.3 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: 0.0529
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No