Information card for entry 7212821

Structure parameters

• Formula: C37 H88 N8 O25 S3
• Calculated formula: C37 H84.8 N8 O25 S3
• 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: 15.303 ± 0.002 Å
• b: 16.583 ± 0.002 Å
• c: 23.124 ± 0.003 Å
• α: 90°
• β: 104.234 ± 0.008°
• γ: 90°
• Cell volume: 5688 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1026
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No