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Information card for entry 4027171
Preview
Coordinates | 4027171.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H25 N3 O6 |
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Calculated formula | C22 H25 N3 O6 |
Title of publication | A 1,4-Diphenyl-1,2,3-Triazole-Based β-Turn Mimic Constructed by Click Chemistry |
Authors of publication | Chun-Fang Wu; Xin Zhao; Wen-Xian Lan; Chunyang Cao; Jin-Tao Liu; Xi-Kui Jiang; Zhan-Ting Li |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 4261 - 4270 |
a | 8.1755 ± 0.0011 Å |
b | 24.597 ± 0.003 Å |
c | 10.5038 ± 0.0014 Å |
α | 90° |
β | 96.984 ± 0.003° |
γ | 90° |
Cell volume | 2096.6 ± 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1157 |
Residual factor for significantly intense reflections | 0.0647 |
Weighted residual factors for significantly intense reflections | 0.1687 |
Weighted residual factors for all reflections included in the refinement | 0.1925 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178450 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/71. |
4027171.cif |
81239 | 2013-04-14 | cif/ Adding structures of 4027171 via cif-deposit CGI script. |
4027171.cif |
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Users of the data should acknowledge the original authors of the
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