Information card for entry 2001680

Structure parameters

• Formula: C30 H36 N3 O4 S3
• Calculated formula: C33.5 H29 N3 O4 S3
• Title of publication: Structure of 4,7-bis(4-mercaptobenzoyl)-1-tosyl-1,4,7-triazacyclononane
• Authors of publication: Evans, D. J.; Hughes, D. L.; Leigh, G. J.; Garcia, G.; Santana, M. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 905 - 908
• a: 24.113 ± 0.005 Å
• b: 11.02 ± 0.005 Å
• c: 12.065 ± 0.004 Å
• α: 90°
• β: 100.07 ± 0.02°
• γ: 90°
• Cell volume: 3156.6 ± 1.9 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No