Information card for entry 7053386

Structure parameters

• Formula: C18 H13 Cl N O4
• Calculated formula: C18 H13 Cl N O4
• Title of publication: Solid-state synthesis of head-to-tail photodimers from supramolecular assemblies directed by charge-assisted hydrogen bonds
• Authors of publication: Linares, Maholy; Briceño, Alexander
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 587
• a: 7.4116 ± 0.0015 Å
• b: 9.874 ± 0.002 Å
• c: 12.082 ± 0.002 Å
• α: 66.39 ± 0.03°
• β: 73.94 ± 0.03°
• γ: 79.39 ± 0.03°
• Cell volume: 775.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No