Information card for entry 7235536

Structure parameters

• Formula: C22 H14 Br Cl N2 O2
• Calculated formula: C22 H14 Br Cl N2 O2
• Title of publication: Covalently anchored carboxylic acid on uniform spherical silica nanoparticles with narrow slit like mesopores for the synthesis of pyrroloacridinones: CuI-catalyzed further C(sp3)‒H oxyfunctionalization for CO formation
• Authors of publication: Ray, Suman; Bhaumik, Asim; Pramanik, Malay; Mukhopadhyay, Chhanda
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 30
• Pages of publication: 15441
• a: 9.112 ± 0.0007 Å
• b: 10.6244 ± 0.0008 Å
• c: 11.2803 ± 0.0008 Å
• α: 97.211 ± 0.002°
• β: 105.469 ± 0.002°
• γ: 113.356 ± 0.002°
• Cell volume: 932.65 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No