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Information card for entry 7052921
Preview
Coordinates | 7052921.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H14 N6 O6 |
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Calculated formula | C15 H14 N6 O6 |
SMILES | C(C)(C)Nc1c(cc(cc1)N=Nc1ccc(cc1N(=O)=O)N(=O)=O)N(=O)=O |
Title of publication | Solvatochromism and acidochromism of azobenzene-functionalized poly(vinyl amines) |
Authors of publication | Hofmann, Katja; Brumm, Susann; Mende, Carola; Nagel, Kevin; Seifert, Andreas; Roth, Isabelle; Schaarschmidt, Dieter; Lang, Heinrich; Spange, Stefan |
Journal of publication | New Journal of Chemistry |
Year of publication | 2012 |
Journal volume | 36 |
Journal issue | 8 |
Pages of publication | 1655 |
a | 13.8296 ± 0.0005 Å |
b | 6.6323 ± 0.0002 Å |
c | 35.6388 ± 0.0012 Å |
α | 90° |
β | 90.16 ± 0.003° |
γ | 90° |
Cell volume | 3268.85 ± 0.19 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0325 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0673 |
Weighted residual factors for all reflections included in the refinement | 0.0683 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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