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Information card for entry 8101780
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Coordinates | 8101780.cif |
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External links | ChemSpider |
Chemical name | N-(4-(9,10-dioxo-anthracene-1-ylamino-1,4-dienylamino))- 5-dimethylaminonaphthalene-sulfonamide |
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Formula | C32 H25 N3 O4 S |
Calculated formula | C32 H25 N3 O4 S |
SMILES | c1(c2C(=O)c3ccccc3C(=O)c2ccc1)Nc1ccc(cc1)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |
Title of publication | Crystal structure of N-[4-(9,10-dioxo-anthracene-1-yl-amino-1,4-dienylamino)]- 5-dimethylaminonaphthalene-sulfonamide, C~32~H~25~N~3~O~4~S |
Authors of publication | Illos, R. A.; Ergaz, I.; Bittner, S. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2005 |
Journal volume | 220 |
Journal issue | 2 |
Pages of publication | 285 - 286 |
a | 19.895 ± 0.004 Å |
b | 8.431 ± 0.0017 Å |
c | 16.394 ± 0.003 Å |
α | 90° |
β | 108.65 ± 0.03° |
γ | 90° |
Cell volume | 2605.4 ± 1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0709 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.097 |
Weighted residual factors for all reflections included in the refinement | 0.1046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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