Information card for entry 7228198

Structure parameters

• Formula: C11 H10 N O
• Calculated formula: C12 H11 N O2
• SMILES: O1C(=O)c2c3n(cccc3)cc2C1(C)C
• Title of publication: Synthesis of fused tricyclic indolizines by intramolecular silver-mediated double cyclization of 2-(pyridin-2-yl)acetic acid propargyl esters
• Authors of publication: Zhao, Hai-Yuan; Wang, Ying-chun; Cao, Xiao-Lin; Pang, Qiu-Fang; Wang, Heng-shan; Pan, Ying-ming
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 39
• Pages of publication: 24011
• a: 8.0248 ± 0.0007 Å
• b: 12.175 ± 0.0012 Å
• c: 10.5501 ± 0.0012 Å
• α: 90°
• β: 100.48 ± 0.009°
• γ: 90°
• Cell volume: 1013.57 ± 0.18 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: 0.0516
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No