Information card for entry 7107219

Structure parameters

• Formula: C59 H84.5 N1.5 O9 V2
• Calculated formula: C59 H83 N1.5 O9 V2
• 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: 16.663 ± 0.003 Å
• b: 13.179 ± 0.002 Å
• c: 26.712 ± 0.005 Å
• α: 90°
• β: 94.201 ± 0.002°
• γ: 90°
• Cell volume: 5850.2 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1397
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.231
• Weighted residual factors for all reflections included in the refinement: 0.2686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.6942 Å
• Diffraction radiation type: SYNCHROTRON
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No