Information card for entry 7052115

Structure parameters

• Formula: C48 H50 Cl2 N2 O12
• Calculated formula: C48 H50 Cl2 N2 O11.2
• 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: 7.7053 ± 0.0009 Å
• b: 20.304 ± 0.002 Å
• c: 14.3081 ± 0.0015 Å
• α: 90°
• β: 99.737 ± 0.005°
• γ: 90°
• Cell volume: 2206.2 ± 0.4 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.2886
• Residual factor for significantly intense reflections: 0.1495
• Weighted residual factors for significantly intense reflections: 0.3078
• Weighted residual factors for all reflections included in the refinement: 0.3606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No