Information card for entry 1549326

Structure parameters

• Formula: C38 H26 N4 O8
• Calculated formula: C38 H26 N4 O8
• SMILES: O=C(O)c1c(C(=O)[O-])cc(C(=O)O)c(C(=O)[O-])c1.[nH+]1ccc(cc1)/C=C/c1ccccc1C#N.[nH+]1ccc(cc1)/C=C/c1ccccc1C#N
• Title of publication: 1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.
• Authors of publication: Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2018
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 670 - 680
• a: 13.513 ± 0.003 Å
• b: 6.434 ± 0.0013 Å
• c: 18.566 ± 0.004 Å
• α: 90°
• β: 101.85 ± 0.03°
• γ: 90°
• Cell volume: 1579.8 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No