Information card for entry 7209624

Structure parameters

• Formula: C20 H18 N2 O8
• Calculated formula: C20 H18 N2 O8
• SMILES: C(=C\c1cccc[nH+]1)/c1cccc[nH+]1.C(=O)(/C=C/C(=O)[O-])[O-].C(=O)(O)/C=C/C(=O)O
• Title of publication: Self-assembly, concomitant photochemical processes, and improvement of the yield of [2 + 2] photoreactions from supramolecular arrays via mechanochemical assistance
• Authors of publication: Briceño, Alexander; Leal, Dayana; Ortega, Gabriela; Delgado, Graciela Díaz de; Ocando, Edgar; Cubillan, Liz
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 2795
• a: 3.88 ± 0.003 Å
• b: 10.058 ± 0.006 Å
• c: 12.438 ± 0.009 Å
• α: 76.64 ± 0.03°
• β: 88.3 ± 0.04°
• γ: 82.26 ± 0.04°
• Cell volume: 468 ± 0.6 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: 0.0715
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No