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Information card for entry 7061918
Preview
Coordinates | 7061918.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H19 Br N2 O4 |
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Calculated formula | C19 H19 Br N2 O4 |
Title of publication | Deciphering C–H⋯O/X weak hydrogen bonding and halogen bonding interactions in aromatic peptoids |
Authors of publication | Purushotham, Manasa; Paul, Bishwajit; Gajula, Siva Nageswara Rao; Sahariah, Biswajit; Sonti, Rajesh |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 41 |
Pages of publication | 19648 - 19657 |
a | 9.6335 ± 0.0009 Å |
b | 10.5541 ± 0.0011 Å |
c | 10.7463 ± 0.0009 Å |
α | 74.967 ± 0.004° |
β | 66.776 ± 0.004° |
γ | 66.004 ± 0.004° |
Cell volume | 910.89 ± 0.15 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1007 |
Residual factor for significantly intense reflections | 0.062 |
Weighted residual factors for significantly intense reflections | 0.1837 |
Weighted residual factors for all reflections included in the refinement | 0.2054 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7061918.html
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