Information card for entry 4026668

Structure parameters

• Common name: Compound 10a
• Chemical name: quinoxalino[2,3-c]cinnoline-5-N-oxide
• Formula: C14 H8 N4 O
• Calculated formula: C14 H8 N4 O
• SMILES: O=n1nc2nc3c(nc2c2c1cccc2)cccc3
• Title of publication: Quinoxalino[2,3-c]cinnolines and Their 5-N-Oxide: Alkoxylation of Methyl-Substituted Quinoxalino[2,3-c]cinnolines to Acetals and Orthoesters
• Authors of publication: Makhluf J. Haddadin; Mirna El-Khatib; Tharallah A. Shoker; Christine M. Beavers; Marilyn M. Olmstead; James C. Fettinger; Kelli M. Farber; Mark J. Kurth
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 8421 - 8427
• a: 7.1044 ± 0.0003 Å
• b: 11.6958 ± 0.0005 Å
• c: 13.3132 ± 0.0005 Å
• α: 84.733 ± 0.004°
• β: 83.587 ± 0.004°
• γ: 79.155 ± 0.003°
• Cell volume: 1076.82 ± 0.08 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No