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Information card for entry 4026643
Preview
Coordinates | 4026643.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H10 N2 |
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Calculated formula | C13 H10 N2 |
SMILES | n12nc(cc1cccc2)c1ccccc1 |
Title of publication | Synthesis of 2- and 2,3-Substituted Pyrazolo[1,5-a]pyridines: Scope and Mechanistic Considerations of a Domino Direct Alkynylation and Cyclization of N-Iminopyridinium Ylides Using Alkenyl Bromides, Alkenyl Iodides, and Alkynes |
Authors of publication | James J. Mousseau; James A. Bull; Carolyn L. Ladd; Angélique Fortier; Daniela Sustac Roman; André B. Charette |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 8243 - 8261 |
a | 15.86 ± 0.003 Å |
b | 10.73 ± 0.002 Å |
c | 5.8704 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 999 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
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 | 0.1578 |
Residual factor for significantly intense reflections | 0.12 |
Weighted residual factors for significantly intense reflections | 0.3536 |
Weighted residual factors for all reflections included in the refinement | 0.3807 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.574 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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