Information card for entry 7108849

Structure parameters

• Common name: bis(disulfide)-cryptophane-0.0
• Chemical name: bis(disulfide)-cryptophane-0.0
• Formula: C55 H61 N O10 S4
• Calculated formula: C55 H61 N O10 S4
• Title of publication: A bis(disulfide)-linked offset cryptophane
• Authors of publication: Marc A. Little; Malcolm A. Halcrow; Michaele J. Hardie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 15
• Pages of publication: 1512 - 1514
• a: 11.768 ± 0.007 Å
• b: 15.158 ± 0.008 Å
• c: 15.531 ± 0.008 Å
• α: 90.075 ± 0.005°
• β: 104.37 ± 0.005°
• γ: 103.986 ± 0.011°
• Cell volume: 2599 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1804
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No