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Information card for entry 7114115
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7114115.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H13 Cl2 N3 O2 |
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Calculated formula | C18 H3 Cl2 N3 O2 |
SMILES | c1ccccc1NC(=O)c1c(c(c(C(=O)Nc2ccccc2)[nH]1)Cl)Cl |
Title of publication | Solution and solid-state studies of 3,4-dichloro-2,5-diamidopyrroles: formation of an unusual anionic narcissistic dimerElectronic supplementary information (ESI) available: synthesis and characterisation of compounds 3 and 4. See http://www.rsc.org/suppdata/cc/b2/b200980c/ |
Authors of publication | Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.; Shi, Andy J. |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 7 |
Pages of publication | 758 |
a | 33.485 ± 0.002 Å |
b | 7.9757 ± 0.0004 Å |
c | 12.4468 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3324.1 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.2061 |
Residual factor for significantly intense reflections | 0.0796 |
Weighted residual factors for significantly intense reflections | 0.1351 |
Weighted residual factors for all reflections included in the refinement | 0.1576 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.293 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7114115.html
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Users of the data should acknowledge the original authors of the
structural data.