Information card for entry 4114328

Structure parameters

• Formula: C23 H20 N2 O
• Calculated formula: C23 H20 N2 O
• SMILES: O=C(N(C)c1cccc2ccccc12)N(C)c1cccc2ccccc12
• Title of publication: Ground-State Conformational Equilibrium and Photochemical Behavior of Syn and Anti N,N'-Dimethyl-N,N'-di-1-naphthylurea Protophanes
• Authors of publication: Todd L. Kurth; Frederick D. Lewis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13760 - 13767
• a: 7.9727 ± 0.0013 Å
• b: 8.516 ± 0.001 Å
• c: 13.153 ± 0.002 Å
• α: 84.086 ± 0.003°
• β: 81.373 ± 0.003°
• γ: 84.421 ± 0.003°
• Cell volume: 875.2 ± 0.2 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 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: 0.064
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections: 3.834
• Goodness-of-fit parameter for all reflections included in the refinement: 4.24
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No