Information card for entry 7108729

Structure parameters

• Formula: C34 H62 N4 O3 S
• Calculated formula: C34 H62 N4 O3 S
• Title of publication: Small neutral molecular carriers for selective carboxylate transport
• Authors of publication: Cally J. E. Haynes; Stuart N. Berry; Joachim Garric; Julie Herniman; Jennifer R. Hiscock; Isabelle L. Kirby; Mark E. Light; Gregory Perkes; Philip A. Gale
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 246
• a: 8.813 ± 0.005 Å
• b: 13.538 ± 0.006 Å
• c: 17.461 ± 0.01 Å
• α: 105.39 ± 0.07°
• β: 100.24 ± 0.05°
• γ: 108.83 ± 0.05°
• Cell volume: 1820 ± 2 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: 0.1635
• Residual factor for significantly intense reflections: 0.1237
• Weighted residual factors for significantly intense reflections: 0.3045
• Weighted residual factors for all reflections included in the refinement: 0.3303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No