Information card for entry 7053387

Structure parameters

• Formula: C18 H14 N O5
• Calculated formula: C18 H14 N O5
• 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: 7.037 ± 0.003 Å
• b: 19.262 ± 0.007 Å
• c: 11.197 ± 0.005 Å
• α: 90°
• β: 102.653 ± 0.013°
• γ: 90°
• Cell volume: 1480.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No