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Information card for entry 4109485
Preview
Coordinates | 4109485.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H62 N4 O14 |
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Calculated formula | C42 H62 N4 O14 |
Title of publication | Pyromellitamide Aggregates and Their Response to Anion Stimuli |
Authors of publication | James E. A. Webb; Maxwell J. Crossley; Peter Turner; Pall Thordarson |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 7155 - 7162 |
a | 6.9056 ± 0.0003 Å |
b | 8.8163 ± 0.0005 Å |
c | 19.4387 ± 0.0011 Å |
α | 83.675 ± 0.004° |
β | 88.903 ± 0.004° |
γ | 88.855 ± 0.004° |
Cell volume | 1175.85 ± 0.11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1695 |
Residual factor for significantly intense reflections | 0.0655 |
Weighted residual factors for significantly intense reflections | 0.1203 |
Weighted residual factors for all reflections included in the refinement | 0.1298 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178840 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/94. |
4109485.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109485.cif |
58259 | 2012-05-25 | cif/ Adding structures of 4109485 via cif-deposit CGI script. |
4109485.cif |
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Users of the data should acknowledge the original authors of the
structural data.