Information card for entry 4112860

Structure parameters

• Formula: C69 H77 Cl6 N8 O11
• Calculated formula: C69 H77 Cl6 N8 O11
• Title of publication: Design of an Inversion Center between Two Helical Segments
• Authors of publication: Victor Maurizot; Christel Dolain; Yoann Leydet; Jean-Michel Léger; Philippe Guionneau; Ivan Huc
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 10049 - 10052
• a: 18.8887 ± 0.0011 Å
• b: 19.094 ± 0.0012 Å
• c: 19.6816 ± 0.0015 Å
• α: 90°
• β: 98.967 ± 0.003°
• γ: 90°
• Cell volume: 7011.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1362
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No