Information card for entry 7203884

Structure parameters

• Formula: C22 H21 N O2
• Calculated formula: C22 H21 N O2
• SMILES: C(NCC(=O)OC)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparations, X-ray crystal structure determinations, and base strength measurements of substituted tritylamines
• Authors of publication: Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Howard Maskill
• Journal of publication: J. Chem. Soc., Perkin Trans. 2
• Year of publication: 2000
• Journal issue: 1
• Pages of publication: 85 - 92
• a: 16.574 ± 0.002 Å
• b: 12.5221 ± 0.0018 Å
• c: 17.769 ± 0.003 Å
• α: 90°
• β: 105.757 ± 0.003°
• γ: 90°
• Cell volume: 3549.2 ± 0.9 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No