Information card for entry 2204307

Structure parameters

• Chemical name: N-[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]- 3-[2-(2-naphthalen-1-ylethoxy)ethylsulfonyl]propylaminium benzoate
• Formula: C33 H36 N2 O7 S2
• Calculated formula: C33 H36 N2 O7 S2
• Title of publication: Powder study of <i>N</i>-[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]-3-[2-(2-naphthalen-1-ylethoxy)ethylsulfonyl]propylaminium benzoate
• Authors of publication: Johnston, Andrea; Florence, Alastair J.; Shankland, Kenneth; Markvardsen, Anders; Shankland, Norman; Steele, Gerald; Cosgrove, Stephen D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1751 - o1753
• a: 7.63122 ± 0.00017 Å
• b: 13.6673 ± 0.0003 Å
• c: 15.8058 ± 0.0005 Å
• α: 84.385 ± 0.002°
• β: 87.4653 ± 0.0019°
• γ: 75.7135 ± 0.0013°
• Cell volume: 1589.52 ± 0.07 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 1.6
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No