Information card for entry 1544044

Structure parameters

• Formula: C136.5 H112 Cl4 N10 O2
• Calculated formula: C136.5 H112 Cl4 N10 O2
• Title of publication: A chiral “Siamese-Twin” calix[4]pyrrole tetramer
• Authors of publication: Galán, Albano; Aragay, Gemma; Ballester, Pablo
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 5976
• a: 11.145 ± 0.0007 Å
• b: 24.8685 ± 0.0014 Å
• c: 20.3023 ± 0.0012 Å
• α: 90°
• β: 105.745 ± 0.002°
• γ: 90°
• Cell volume: 5415.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2438
• Weighted residual factors for all reflections included in the refinement: 0.2659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No