Information card for entry 2200226

Structure parameters

• Formula: C46 H58 N4 O
• Calculated formula: C46 H56 N4 O
• Title of publication: <i>meso</i>-Octacyclopropylcalix[4]pyrrole ethanol solvate
• Authors of publication: Camiolo, Salvatore; Coles, Simon J.; Gale, Philip A.; Hursthouse, Michael B.; Paver, Michael A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o258 - o260
• a: 23.908 ± 0.005 Å
• b: 7.6861 ± 0.0015 Å
• c: 22.947 ± 0.005 Å
• α: 90°
• β: 114.31 ± 0.03°
• γ: 90°
• Cell volume: 3842.8 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.575
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No