Information card for entry 7200209

Structure parameters

• Common name: bis(3-(hydroxy(diphenyl)methyl)benzenesulfonamide) 1,4,7,10,13,16-hexaoxacyclooctadecane clathrate
• Chemical name: bis{3-[hydroxy(diphenyl)methyl]benzenesulfonamide} 1,4,7,10,13,16-hexaoxacyclooctadecane clathrate
• Formula: C50 H58 N2 O12 S2
• Calculated formula: C50 H58 N2 O12 S2
• Title of publication: Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures
• Authors of publication: Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 94
• a: 8.4707 ± 0.0006 Å
• b: 12.4699 ± 0.0009 Å
• c: 12.86 ± 0.0009 Å
• α: 115.372 ± 0.001°
• β: 97.929 ± 0.001°
• γ: 99.54 ± 0.001°
• Cell volume: 1176.63 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No