Information card for entry 2213979

Structure parameters

• Chemical name: N,N'-Di-1-naphthylurea
• Formula: C21 H16 N2 O
• Calculated formula: C21 H16 N2 O
• SMILES: O=C(Nc1cccc2c1cccc2)Nc1cccc2c1cccc2
• Title of publication: <i>N</i>,<i>N</i>'-Di-1-naphthylurea revisited
• Authors of publication: Slawin, Alexandra M. Z.; Lawson, Jeffrey; Storey, John M. D.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2925 - o2927
• a: 11.284 ± 0.003 Å
• b: 14.918 ± 0.004 Å
• c: 4.5942 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 773.4 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes