Information card for entry 7214354

Structure parameters

• Formula: C148.7 H226.7 N8.7 O42.1
• Calculated formula: C149.17 H225.31 N8.68 O42.27
• Title of publication: Experiences with applications of macromolecular tools in supramolecular crystallography
• Authors of publication: Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3773
• a: 15.7322 ± 0.0004 Å
• b: 24.0717 ± 0.0007 Å
• c: 41.3778 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15669.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2487
• Weighted residual factors for all reflections included in the refinement: 0.2519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No