Information card for entry 7052114

Structure parameters

• Formula: C38 H36 Cl2 N2 O12
• Calculated formula: C38 H36 Cl2 N2 O12
• SMILES: Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[nH+]1ccc(c2ccccc12)C1C(c2ccc(OC)c(OC)c2)C(c2cc[nH+]c3c2cccc3)C1c1ccc(OC)c(OC)c1
• Title of publication: 4-Styrylquinolines: synthesis and study of [2 + 2]-photocycloaddition reactions in thin films and single crystals
• Authors of publication: Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Andrei V. Churakov; Judith A. K. Howard; Michael V. Alfimov; Sergey P. Gromov
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 980
• a: 11.4976 ± 0.0005 Å
• b: 12.2916 ± 0.0006 Å
• c: 13.5348 ± 0.0006 Å
• α: 93.589 ± 0.002°
• β: 110.545 ± 0.002°
• γ: 92.542 ± 0.002°
• Cell volume: 1783.11 ± 0.14 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120 ± 0.2 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: 0.1263
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No