Information card for entry 4111297

Structure parameters

• Formula: C18 H17 N5 O
• Calculated formula: C18 H17 N5 O
• 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: 8.3996 ± 0.0002 Å
• b: 13.3132 ± 0.0003 Å
• c: 14.1796 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1585.64 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.075
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections: 1.937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No