Information card for entry 4038693

Structure parameters

• Formula: C18 H10 Cl N5 O5
• Calculated formula: C18 H10 Cl N5 O5
• Title of publication: Synthesis and Basicity Studies of Quinolino[7,8-h]quinoline Derivatives
• Authors of publication: Rowlands, Gareth J.; Severinsen, Rebecca J.; Buchanan, Jenna K.; Shaffer, Karl J.; Jameson, Heather T.; Thennakoon, Nishani; Leito, Ivo; Lõkov, Märt; Kütt, Agnes; Vianello, Robert; Despotović, Ines; Radić, Nena; Plieger, Paul G.
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 9.8312 ± 0.0012 Å
• b: 6.6242 ± 0.0009 Å
• c: 12.7222 ± 0.0019 Å
• α: 90°
• β: 95.267 ± 0.008°
• γ: 90°
• Cell volume: 825.02 ± 0.19 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No