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Information card for entry 7055125
Preview
Coordinates | 7055125.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H20 N2 O5 |
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Calculated formula | C21 H18 N2 O4 |
SMILES | O1C2=C(C3(c4c1n[nH]c4C)C(=O)c1c(C3=O)cccc1)C(=O)CC(C2)(C)C |
Title of publication | Expeditious synthesis of functionalized tricyclic 4-spiro pyrano[2,3-c]pyrazoles in aqueous medium using dodecylbenzenesulphonic acid as a Brønsted acid‒surfactant-combined catalyst |
Authors of publication | Mukherjee, Prasun; Paul, Sanjay; Das, Asish R. |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 12 |
Pages of publication | 9480 |
a | 11.332 ± 0.002 Å |
b | 9.1756 ± 0.0016 Å |
c | 17.706 ± 0.003 Å |
α | 90° |
β | 104.54 ± 0.006° |
γ | 90° |
Cell volume | 1782.1 ± 0.5 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 | 0.0552 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.1104 |
Weighted residual factors for all reflections included in the refinement | 0.1206 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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