Information card for entry 4517036

Structure parameters

• Formula: C32 H32 N4 O8
• Calculated formula: C32 H32 N4 O8
• SMILES: C1(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O.n1ccc(cc1)CCc1ccncc1.n1ccc(cc1)CCc1ccncc1
• 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: 10.721 ± 0.001 Å
• b: 12.274 ± 0.001 Å
• c: 12.704 ± 0.002 Å
• α: 79.037 ± 0.009°
• β: 88.21 ± 0.01°
• γ: 64.41 ± 0.01°
• Cell volume: 1477.8 ± 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: 0.2051
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No