Information card for entry 4023459

Structure parameters

• Formula: C22 H30 N2 O2
• Calculated formula: C22 H30 N2 O2
• Title of publication: N,N'-Diarylureas: A New Family of Atropisomers Exhibiting Highly Diastereoselective Reactivity
• Authors of publication: Jonathan Clayden; Hazel Turner; Madeleine Helliwell; Elizabeth Moir
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4415 - 4423
• a: 10.538 ± 0.0011 Å
• b: 11.495 ± 0.0011 Å
• c: 17.328 ± 0.0017 Å
• α: 106.016 ± 0.002°
• β: 94.723 ± 0.002°
• γ: 97.553 ± 0.002°
• Cell volume: 1984.5 ± 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: 0.0994
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No