Information card for entry 7203796

Structure parameters

• Formula: C20 H16 Cl2 O
• Calculated formula: C20 H16 Cl2 O
• Title of publication: A solvent-free synthesis of α,α′-bis(substituted benzylidene) cycloalkanones catalyzed by lanthanide amides [(Me3Si)2N]3Ln(µ-Cl)Li(THF)3 under microwave irradiation
• Authors of publication: Zhang, Lijun; Wang, Shaowu; Sheng, Enhong; Zhou, Shuangliu
• Journal of publication: Green Chemistry
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 683
• a: 10.0665 ± 0.0004 Å
• b: 16.6372 ± 0.0007 Å
• c: 10.5634 ± 0.0003 Å
• α: 90°
• β: 107.793 ± 0.002°
• γ: 90°
• Cell volume: 1684.52 ± 0.11 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: 0.0967
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No