Information card for entry 7212822

Structure parameters

• Formula: C31 H73 N8 O25 S7.5
• Calculated formula: C31 H69 N8 O25 S7.5
• Title of publication: Unusual complexes of trapped methanol with azacryptands.
• Authors of publication: Hossain, Md Alamgir; Saeed, Musabbir A.; Gryn'ova, Ganna; Powell, Douglas R.; Leszczynski, Jerzy
• Journal of publication: CrystEngComm / RSC
• Year of publication: 2010
• Journal volume: 2010
• Journal issue: 12
• Pages of publication: 4042 - 4044
• a: 11.8698 ± 0.0014 Å
• b: 14.1475 ± 0.0018 Å
• c: 16.133 ± 0.002 Å
• α: 97.812 ± 0.007°
• β: 96.193 ± 0.007°
• γ: 101.013 ± 0.008°
• Cell volume: 2609.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0888
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No