Information card for entry 7124814

Structure parameters

• Chemical name: 3-Methylquinoline N-Oxide meta-Chlorobenzoic Acid (1:1) Complex
• Formula: C17 H14 Cl N O3
• Calculated formula: C17 H14 Cl N O3
• Title of publication: Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls.
• Authors of publication: Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 64
• Pages of publication: 9945 - 9948
• a: 15.84 ± 0.004 Å
• b: 13.517 ± 0.004 Å
• c: 7.047 ± 0.002 Å
• α: 90°
• β: 101.395 ± 0.005°
• γ: 90°
• Cell volume: 1479.1 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0494
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No