Information card for entry 4104101

Structure parameters

• Formula: C23 H18 N2 O2
• Calculated formula: C23 H18 N2 O2
• SMILES: O=C1N(c2ccccc2c2n1c1ccccc1c2c1ccc(OC)cc1)C
• Title of publication: Platinum-Catalyzed Dehydroalkoxylation-Cyclization Cascade via N-O Bond Cleavage
• Authors of publication: Itaru Nakamura; Yusuke Sato; Masahiro Terada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 4198 - 4199
• a: 6.2669 Å
• b: 9.2991 Å
• c: 15.9031 Å
• α: 69.1766°
• β: 80.9397°
• γ: 86.5353°
• Cell volume: 855.423 ų
• Cell temperature: 173.1 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 significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.2228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No