Information card for entry 1544045

Structure parameters

• Formula: C283.25 H228 Cl5.25 N36.75 O4
• Calculated formula: C283.25 H228 Cl5.25 N36.75 O4
• 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: 24.3201 ± 0.0018 Å
• b: 40.885 ± 0.003 Å
• c: 24.8903 ± 0.0017 Å
• α: 90°
• β: 107.986 ± 0.002°
• γ: 90°
• Cell volume: 23540 ± 3 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: 0.1321
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2594
• Weighted residual factors for all reflections included in the refinement: 0.2989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No