Information card for entry 8107713

Structure parameters

• Common name: is(dicyclohexylammonium) 4-(2-carboxylato- phenyl)-3,5-dimethyl-1,2,6-thiadiazin-2-ide 1,1-dioxide methanol monosolvate
• Formula: C37 H62 N4 O5 S
• Calculated formula: C37 H62 N4 O5 S
• Title of publication: Crystal structure of bis(dicyclohexylammonium) 4-(2-carboxylatophenyl)- 3,5-dimethyl-1,2,6-thiadiazin-2-ide 1,1-dioxide methanol monosolvate, C37H62N4O5S
• Authors of publication: Bhatt, Nilay; Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2015
• Journal volume: 230
• Journal issue: 1
• Pages of publication: 53 - 55
• a: 10.6902 ± 0.0004 Å
• b: 12.9126 ± 0.0004 Å
• c: 15.1755 ± 0.0005 Å
• α: 92.277 ± 0.002°
• β: 104.928 ± 0.002°
• γ: 111.714 ± 0.002°
• Cell volume: 1859.08 ± 0.12 ų
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No