Information card for entry 4111299

Structure parameters

• Formula: C60 H49 Cl9 N14 O3
• Calculated formula: C60 H49 Cl9 N14 O3
• Title of publication: Driven Evolution of a Constitutional Dynamic Library of Molecular Helices Toward the Selective Generation of [2 x 2] Gridlike Arrays under the Pressure of Metal Ion Coordination
• Authors of publication: Nicolas Giuseppone; Jean-Louis Schmitt; Jean-Marie Lehn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16748 - 16763
• a: 13.84 ± 0.001 Å
• b: 15.084 ± 0.001 Å
• c: 16.308 ± 0.001 Å
• α: 82.84 ± 0.05°
• β: 70.59 ± 0.05°
• γ: 75.03 ± 0.05°
• Cell volume: 3099.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1749
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No