Information card for entry 7154436

Structure parameters

• Formula: C17 H17 N O2
• Calculated formula: C17 H17 N O2
• SMILES: O(CC)c1oc(c2nc3c(cccc3cc2)C)c(c1)C
• Title of publication: Gold-catalyzed α-furanylations of quinoline N-oxides with alkenyldiazo carbonyl species.
• Authors of publication: Pagar, Vinayak Vishnu; Liu, Rai-Shung
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6166 - 6169
• a: 7.8554 ± 0.0007 Å
• b: 19.1071 ± 0.0017 Å
• c: 9.8166 ± 0.0009 Å
• α: 90°
• β: 112.458 ± 0.002°
• γ: 90°
• Cell volume: 1361.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No