Information card for entry 7235651

Structure parameters

• Formula: C22 H14 Cl N O
• Calculated formula: C22 H14 Cl N O
• Title of publication: Deproto-metallation using mixed lithium‒zinc and lithium‒copper bases and computed CH acidity of 2-substituted quinolines
• Authors of publication: Marquise, Nada; Bretel, Guillaume; Lassagne, Frédéric; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Gros, Philippe C.; Mongin, Florence
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 38
• Pages of publication: 19602
• a: 7.6161 ± 0.0004 Å
• b: 10.4578 ± 0.0004 Å
• c: 20.7837 ± 0.0008 Å
• α: 90°
• β: 98.336 ± 0.002°
• γ: 90°
• Cell volume: 1637.88 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No