Information card for entry 7203886

Structure parameters

• Formula: C22 H23 N O3
• Calculated formula: C22 H23 N O3
• SMILES: NC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccc(cc1)OC
• 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: 10.497 ± 0.002 Å
• b: 18.498 ± 0.002 Å
• c: 19.597 ± 0.002 Å
• α: 90°
• β: 102.78 ± 0.017°
• γ: 90°
• Cell volume: 3711 ± 0.9 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No