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Information card for entry 7055127
Preview
Coordinates | 7055127.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H24 N2 O4 |
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Calculated formula | C26 H24 N2 O4 |
SMILES | c12c(c(C)[nH]n1)C1(C(=O)c3ccccc3c3ccccc13)C1=C(CC(CC1=O)(C)C)O2.O |
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 | 7.817 ± 0.0008 Å |
b | 9.4031 ± 0.001 Å |
c | 16.4402 ± 0.0017 Å |
α | 73.821 ± 0.003° |
β | 81.557 ± 0.003° |
γ | 69.541 ± 0.003° |
Cell volume | 1085.7 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0616 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.0974 |
Weighted residual factors for all reflections included in the refinement | 0.1066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7055127.html
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