Information card for entry 7107220

Structure parameters

• Formula: C50.5 H66.75 N2.25 O15 S4 V
• Calculated formula: C50.5 H66 N2.25 O15 S4 V
• Title of publication: Cellular uptake of a fluorescent vanadyl sulfonylcalix[4]arene
• Authors of publication: Carl Redshaw; Mark R. J. Elsegood; Joseph A. Wright; Hugo Baillie-Johnson; Takehiko Yamato; Stephen De Giovanni; Anja Mueller
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1129
• a: 25.0873 ± 0.001 Å
• b: 16.7913 ± 0.0007 Å
• c: 26.7582 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11271.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No