Information card for entry 1529873

Structure parameters

• Formula: C20 H24 N2 O4
• Calculated formula: C20 H24 N2 O4
• SMILES: c1(cc(c(cc1c1ccc(cc1)CC)C)C)N(C(=O)OC)NC(=O)OC
• Title of publication: Substrate Directed C-H Activation for the Synthesis of Benzo[c]cinnolines through a Sequential C-C and C-N Bond Formation.
• Authors of publication: Reddy, B. V. Subba; Reddy, C. Ravikumar; Reddy, M. Rajashekhar; Yarlagadda, Suresh; Sridhar, B.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 3730 - 3733
• a: 11.5233 ± 0.0013 Å
• b: 7.6374 ± 0.0008 Å
• c: 11.6452 ± 0.0013 Å
• α: 90°
• β: 110.244 ± 0.002°
• γ: 90°
• Cell volume: 961.56 ± 0.18 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No