Information card for entry 1503023

Structure parameters

• Formula: C25 H23 N O
• Calculated formula: C25 H23 N O
• SMILES: O(c1c(c2c3c(/C=N/C(C)C)cccc3ccc2)c2ccccc2cc1)C
• Title of publication: NMR determinations of the absolute configuration of alpha-chiral primary amines.
• Authors of publication: Fukui, Hiroki; Fukushi, Yukiharu
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 2856 - 2859
• a: 8.578 ± 0.008 Å
• b: 13.005 ± 0.012 Å
• c: 17.753 ± 0.018 Å
• α: 90°
• β: 100.882 ± 0.011°
• γ: 90°
• Cell volume: 1945 ± 3 ų
• Cell temperature: 100.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No