Information card for entry 1545207

Structure parameters

• Formula: C26 H21 N O2
• Calculated formula: C26 H21 N O2
• SMILES: O=C1N(c2ccccc2C2=C(OC(=CC12C)c1ccccc1)c1ccccc1)C
• Title of publication: Synthesis of Fused Pyran Derivatives via Visible-Light-Induced Cascade Cyclization of 1,7-Enynes with Acyl Chlorides.
• Authors of publication: Li, Chen-Guang; Xu, Guo-Qiang; Xu, Peng-Fei
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 512 - 515
• a: 13.313 ± 0.0007 Å
• b: 8.0185 ± 0.0004 Å
• c: 19.7281 ± 0.0017 Å
• α: 90°
• β: 98.183 ± 0.006°
• γ: 90°
• Cell volume: 2084.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No