Information card for entry 7233897

Structure parameters

• Formula: C58.86 H78.46 N3 O10.87
• Calculated formula: C58.863 H78.452 N3 O10.863
• Title of publication: Highly ordered luminescent calix[4]azacrown films showing an emission response selective to volatile tetrahydrofuran
• Authors of publication: Issam Oueslati; Jose A. Paixao; Aleksander Shkurenko; Kinga Suwinska; J. Sergio Seixas de Melo; Luis A. E. Batista de Carvalho
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 9012 - 9020
• a: 11.1992 ± 0.0004 Å
• b: 12.9239 ± 0.0005 Å
• c: 21.1547 ± 0.0007 Å
• α: 91.865 ± 0.002°
• β: 103.252 ± 0.002°
• γ: 114.341 ± 0.002°
• Cell volume: 2687.41 ± 0.18 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: 0.1306
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2279
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No