Information card for entry 4517035

Structure parameters

• Formula: C20 H24 N2 O10
• Calculated formula: C20 H24 N2 O10
• SMILES: C(=O)([C@H]1[C@H](C(=O)[O-])[C@H](C(=O)O)[C@H]1C(=O)[O-])O.c1[nH+]ccc(c1)CCc1cc[nH+]cc1.O.O
• 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: 7.1418 ± 0.0008 Å
• b: 7.6788 ± 0.0009 Å
• c: 10.5822 ± 0.0009 Å
• α: 73.72 ± 0.009°
• β: 81.906 ± 0.008°
• γ: 67.038 ± 0.011°
• Cell volume: 512.6 ± 0.1 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: 0.11
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.748
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No