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Information card for entry 4517013
Preview
Coordinates | 4517013.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H20 N5 O5 S |
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Calculated formula | C15 H16 N2 O5 S |
SMILES | S(=O)(=O)([O-])O.Oc1c(cccc1)c1n(C)c2c([n+]1C)cccc2 |
Title of publication | Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen |
Authors of publication | Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja |
Journal of publication | ACS Sustainable Chemistry & Engineering |
Year of publication | 2017 |
Journal volume | 5 |
Journal issue | 7 |
Pages of publication | 6322 |
a | 10.8743 ± 0.0008 Å |
b | 12.9713 ± 0.0009 Å |
c | 13.3718 ± 0.001 Å |
α | 64.0149 ± 0.0019° |
β | 71.014 ± 0.002° |
γ | 70.772 ± 0.002° |
Cell volume | 1564 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0619 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.1279 |
Weighted residual factors for all reflections included in the refinement | 0.1427 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4517013.html
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