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Information card for entry 2240679
Preview
Coordinates | 2240679.cif |
---|---|
Structure factors | 2240679.hkl |
Original paper (by DOI) | HTML |
Chemical name | (<i>E</i>)-2-({[2-(1,3-Dioxan-2-yl)phenyl]imino}methyl)phenol |
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Formula | C17 H17 N O3 |
Calculated formula | C17 H17 N O3 |
SMILES | c1(ccccc1/C=N/c1ccccc1C1OCCCO1)O |
Title of publication | Crystal structure of (<i>E</i>)-2-({[2-(1,3-dioxan-2-yl)phenyl]imino}methyl)phenol |
Authors of publication | Li, Zhengyi; Shi, Song; Zhou, Kun; Chen, Liang; Sun, Xiaoqiang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 5 |
Pages of publication | o357 - o358 |
a | 8.4873 ± 0.0018 Å |
b | 10.821 ± 0.002 Å |
c | 16.232 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1490.8 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0525 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0909 |
Weighted residual factors for all reflections included in the refinement | 0.0973 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240679.cif 2240679.hkl |
136461 | 2015-05-13 | cif/ hkl/ Adding structures of 2240679 via cif-deposit CGI script. |
2240679.cif 2240679.hkl |
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Users of the data should acknowledge the original authors of the
structural data.