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Information card for entry 7054208
Preview
Coordinates | 7054208.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H32 Cl2 N8 O |
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Calculated formula | C33 H30 Cl2 N8 O |
SMILES | c1cccc(Cn2c[n+](cc2)c2cccc3c2N2CN(C3)c3c(C2)cccc3n2c[n+](cc2)Cc2ccccn2)n1.[Cl-].[Cl-].O |
Title of publication | Facile access to imidazole and imidazolium substituted dibenzo-diazocines |
Authors of publication | Sathyanarayana, Arruri; Prabusankar, Ganesan |
Journal of publication | New Journal of Chemistry |
Year of publication | 2014 |
Journal volume | 38 |
Journal issue | 8 |
Pages of publication | 3613 |
a | 8.3442 ± 0.001 Å |
b | 12.5633 ± 0.0012 Å |
c | 15.0779 ± 0.0016 Å |
α | 84.154 ± 0.008° |
β | 79.178 ± 0.01° |
γ | 87.113 ± 0.009° |
Cell volume | 1543.7 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 153 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.114942 |
Residual factor for significantly intense reflections | 0.072302 |
Weighted residual factors for all reflections included in the refinement | 0.224077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08965 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180096 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/42. |
7054208.cif |
121740 | 2014-08-08 | cif/ Updating files of 7054203, 7054204, 7054205, 7054206, 7054207, 7054208 Original log message: Adding full bibliography for 7054203--7054208.cif. |
7054208.cif |
114008 | 2014-05-20 | cif/ Adding structures of 7054203, 7054204, 7054205, 7054206, 7054207, 7054208 via cif-deposit CGI script. |
7054208.cif |
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Users of the data should acknowledge the original authors of the
structural data.