Information card for entry 4030917

Structure parameters

• Formula: C28 H20 N2 O
• Calculated formula: C28 H20 N2 O
• SMILES: O(c1cc2c3nc4n(cccc4)c3c(c(c2cc1)c1ccccc1)c1ccccc1)C
• Title of publication: Rh(III)-Catalyzed Oxidative Annulation of 2-Phenylimidazo[1,2-a]pyridines with Alkynes: Mono versus Double C-H Activation.
• Authors of publication: Qi, Zisong; Yu, Songjie; Li, Xingwei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 7
• Pages of publication: 3471
• a: 10.3476 ± 0.0016 Å
• b: 21.312 ± 0.003 Å
• c: 9.2867 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048 ± 0.5 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No