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Information card for entry 4503607
Preview
Coordinates | 4503607.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H11 I0.78 N4.22 O1.66 |
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Calculated formula | C11 H11 I0.778 N4.222 O1.666 |
Title of publication | Hydrogen-Bonded Helices for Anion Binding and Separation |
Authors of publication | Custelcean, Radu; Jiang, De-en; Hay, Benjamin P.; Luo, Wensui; Gu, Baohua |
Journal of publication | Crystal Growth & Design |
Year of publication | 2008 |
Journal volume | 8 |
Journal issue | 6 |
Pages of publication | 1909 |
a | 12.2248 ± 0.001 Å |
b | 7.6978 ± 0.0006 Å |
c | 13.6339 ± 0.0011 Å |
α | 90° |
β | 102.819 ± 0.001° |
γ | 90° |
Cell volume | 1251.03 ± 0.17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0377 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0897 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179571 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/36. |
4503607.cif |
120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503607.cif |
41661 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503602, 4503603, 4503604, 4503605, 4503606, 4503607, 4503608, 4503609, 4503610, 4503611 via cif-deposit CGI script. |
4503607.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.