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Information card for entry 1516749
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Coordinates | 1516749.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C3 H8 N2 O2 |
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Calculated formula | C3 H8 N2 O2 |
Title of publication | Unusually weak binding interactions in tetrazole-amidine complexes. |
Authors of publication | Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 7 |
Pages of publication | 1279 - 1282 |
a | 6.4456 ± 0.0009 Å |
b | 6.4456 ± 0.0009 Å |
c | 12.53 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 520.57 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 96 |
Hermann-Mauguin space group symbol | P 43 21 2 |
Hall space group symbol | P 4nw 2abw |
Residual factor for all reflections | 0.0435 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.0796 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516749.cif |
118776 | 2014-06-30 | cif/ Adding structures of 1516747, 1516748, 1516749 via cif-deposit CGI script. |
1516749.cif |
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Users of the data should acknowledge the original authors of the
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