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Information card for entry 4511306
Preview
Coordinates | 4511306.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H19 Br2 N2 O2 S |
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Calculated formula | C23 H19 Br2 N2 O2 S |
Title of publication | Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization |
Authors of publication | Roy, Saikat; Nangia, Ashwini |
Journal of publication | Crystal Growth & Design |
Year of publication | 2007 |
Journal volume | 7 |
Journal issue | 10 |
Pages of publication | 2047 |
a | 8.0184 ± 0.0008 Å |
b | 11.9872 ± 0.0012 Å |
c | 13.5855 ± 0.0013 Å |
α | 112.826 ± 0.002° |
β | 106.592 ± 0.002° |
γ | 93.964 ± 0.002° |
Cell volume | 1129.26 ± 0.19 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0631 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.0899 |
Weighted residual factors for all reflections included in the refinement | 0.0998 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179660 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/13. |
4511306.cif |
116910 | 2014-06-14 | cif/ Adding structures of 4511306 via cif-deposit CGI script. |
4511306.cif |
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Users of the data should acknowledge the original authors of the
structural data.