Information card for entry 4130977

Structure parameters

• Formula: C24 H31 N5 O5
• Calculated formula: C24 H31 N5 O5
• Title of publication: A Supramolecular Ice Growth Inhibitor.
• Authors of publication: Drori, Ran; Li, Chao; Hu, Chunhua; Raiteri, Paolo; Rohl, Andrew L.; Ward, Michael D.; Kahr, Bart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 40
• Pages of publication: 13396 - 13401
• a: 10.287 ± 0.004 Å
• b: 11.63 ± 0.005 Å
• c: 12.711 ± 0.005 Å
• α: 63.097 ± 0.004°
• β: 69.525 ± 0.004°
• γ: 64.5 ± 0.004°
• Cell volume: 1201.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1099
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No