Information card for entry 7206278

Structure parameters

• Formula: C37 H50 N2 O10
• Calculated formula: C37 H50 N2 O10
• Title of publication: Dimeric self-association of an isophthalamide macrocycle in solution and the solid state
• Authors of publication: Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 4586
• a: 8.864 ± 0.013 Å
• b: 9.554 ± 0.014 Å
• c: 21.89 ± 0.04 Å
• α: 82.63 ± 0.04°
• β: 82.94 ± 0.05°
• γ: 74.7 ± 0.05°
• Cell volume: 1766 ± 5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for all reflections: 0.301
• Weighted residual factors for significantly intense reflections: 0.2861
• Weighted residual factors for all reflections included in the refinement: 0.301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0092
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No