Information card for entry 1543235

Structure parameters

• Formula: C22 H19 N O
• Calculated formula: C22 H19 N O
• SMILES: c12cccc3c4ccccc4C(c13)(C)c1cc(ccc1N2C)OC
• Title of publication: Pd-Catalyzed Intramolecular Heck Reaction, C(sp(2))-H Activation, 1,4-Pd Migration, and Aminopalladation: Chemoselective Synthesis of Dihydroindeno[1,2,3-kl]acridines and 3-Arylindoles.
• Authors of publication: Gu, Zheng-Yang; Liu, Cheng-Guo; Wang, Shun-Yi; Ji, Shun-Jun
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2379 - 2382
• a: 14.2222 ± 0.0006 Å
• b: 12.0292 ± 0.0004 Å
• c: 19.1416 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3274.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No