Information card for entry 4026669

Structure parameters

• Common name: Compound 11
• Chemical name: 10-(Dimethoxymethyl)quinoxalino[2,3-c]cinnoline
• Formula: C17 H14 N4 O2
• Calculated formula: C17 H14 N4 O2
• SMILES: c1c2c(ccc1C(OC)OC)nc1nnc3ccccc3c1n2
• 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: 28.7457 ± 0.0018 Å
• b: 11.6165 ± 0.0008 Å
• c: 4.2085 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1405.32 ± 0.16 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No