Information card for entry 4517043

Structure parameters

• Formula: C17 H17 N2 O4.5
• Calculated formula: C17 H17 N2 O4.5
• Title of publication: Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions
• Authors of publication: Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4880
• a: 10.4956 ± 0.0009 Å
• b: 11.1647 ± 0.0008 Å
• c: 18.176 ± 0.0016 Å
• α: 86.743 ± 0.007°
• β: 76.427 ± 0.007°
• γ: 64.585 ± 0.008°
• Cell volume: 1867.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2511
• Residual factor for significantly intense reflections: 0.1307
• Weighted residual factors for significantly intense reflections: 0.3344
• Weighted residual factors for all reflections included in the refinement: 0.4257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No