Information card for entry 4119658

Structure parameters

• Chemical name: N-(2-anthracenyl)-N'-(phenyl)-urea tetrabutylammonium chloride hydrate
• Formula: C37 H52.5 Cl N3 O1.25
• Calculated formula: C37 H52 Cl N3 O1.25
• Title of publication: The Interaction of Fluoride with Fluorogenic Ureas: An ON1-OFF-ON2 Response
• Authors of publication: Valeria Amendola; Greta Bergamaschi; Massimo Boiocchi; Luigi Fabbrizzi; Lorenzo Mosca
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6345 - 6355
• a: 24.007 ± 0.003 Å
• b: 8.1804 ± 0.0009 Å
• c: 19.147 ± 0.002 Å
• α: 90°
• β: 108.695 ± 0.002°
• γ: 90°
• Cell volume: 3561.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1834
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2371
• Weighted residual factors for all reflections included in the refinement: 0.298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No