Information card for entry 7121083

Structure parameters

• Common name: Calix[4]pyrrole-mono-carboxylate
• Formula: C48 H75 N7 O2
• Calculated formula: C48 H75 N7 O2
• Title of publication: A thermoresponsive supramolecular polymer gel from a heteroditopic calix[4]pyrrole.
• Authors of publication: Amharar, Sana; Yuvayapan, Samet; Aydogan, Abdullah
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 829 - 832
• a: 12.0322 ± 0.001 Å
• b: 13.1344 ± 0.001 Å
• c: 16.6364 ± 0.0013 Å
• α: 70.528 ± 0.002°
• β: 69.876 ± 0.002°
• γ: 85.758 ± 0.002°
• Cell volume: 2325 ± 0.3 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: 0.06
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No