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Information card for entry 7211312
Preview
Coordinates | 7211312.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H23 N4 O4 |
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Calculated formula | C24 H23 N4 O4 |
SMILES | c1(ccccc1)n1c(c(c(C)n1)C(CC(=O)OC)c1c(n(c2ccccc2)nc1C)O)O |
Title of publication | Chemodivergent, multicomponent domino reactions in aqueous media: l-proline-catalyzed assembly of densely functionalized 4H-pyrano[2,3-c]pyrazoles and bispyrazolyl propanoates from simple, acyclic starting materials |
Authors of publication | Prasanna, Pitchaimani; Perumal, Subbu; Menéndez, J. Carlos |
Journal of publication | Green Chemistry |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 5 |
Pages of publication | 1292 |
a | 12.2016 ± 0.0005 Å |
b | 13.6995 ± 0.0005 Å |
c | 15.4526 ± 0.0005 Å |
α | 90° |
β | 110.166 ± 0.002° |
γ | 90° |
Cell volume | 2424.65 ± 0.16 Å3 |
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 | 0.0799 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for significantly intense reflections | 0.2001 |
Weighted residual factors for all reflections included in the refinement | 0.2121 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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