Information card for entry 4506067

Structure parameters

• Chemical name: SVP-4N-AA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)4-COOH
• Formula: C17 H19 N3 O5
• Calculated formula: C17 H19 N3 O5
• Title of publication: Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy
• Authors of publication: Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2579
• a: 11.9508 ± 0.0011 Å
• b: 19.8752 ± 0.0019 Å
• c: 7.3996 ± 0.0008 Å
• α: 90°
• β: 105.384 ± 0.004°
• γ: 90°
• Cell volume: 1694.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No