Information card for entry 4517042

Structure parameters

• Formula: C20 H18 N2 O8
• Calculated formula: C20 H18 N2 O8
• 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: 7.932 ± 0.004 Å
• b: 11.302 ± 0.0005 Å
• c: 11.3062 ± 0.0001 Å
• α: 110.446 ± 0.002°
• β: 103.648 ± 0.003°
• γ: 93.794 ± 0.002°
• Cell volume: 910.5 ± 0.5 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: 0.1945
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2453
• Weighted residual factors for all reflections included in the refinement: 0.2892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4517041
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No