Information card for entry 1555968

Structure parameters

• Formula: C24 H16 N2 O2
• Calculated formula: C24 H16 N2 O2
• SMILES: o1c2ccccc2n2c(c3ccccc3)c3c(c12)C(=O)N(C3)c1ccccc1
• Title of publication: Thermally Induced [3 + 2] Cycloaddition of Alkynyl-Tethered Diazoamides: Synthetic and Mechanistic Insights.
• Authors of publication: Zhang, Cheng; Huang, Jingjing; Qiu, Lihua; Xu, Xinfang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6208 - 6211
• a: 7.1492 ± 0.0004 Å
• b: 10.4607 ± 0.0005 Å
• c: 12.1607 ± 0.0006 Å
• α: 77.086 ± 0.003°
• β: 77.386 ± 0.004°
• γ: 87.983 ± 0.004°
• Cell volume: 864.96 ± 0.08 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 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: 0.1142
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No