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Information card for entry 2015256
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Coordinates | 2015256.cif |
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Structure factors | 2015256.hkl |
Original IUCr paper | HTML |
Chemical name | (Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-(4-methoxyphenyldiazenyl)cyclohexa-2,4-dienone |
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Formula | C19 H23 N3 O6 |
Calculated formula | C19 H23 N3 O6 |
Title of publication | (<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues |
Authors of publication | Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 4 |
Pages of publication | o173 - o177 |
a | 16.9333 ± 0.0009 Å |
b | 10.7124 ± 0.0006 Å |
c | 10.5476 ± 0.0006 Å |
α | 90° |
β | 98.966 ± 0.004° |
γ | 90° |
Cell volume | 1889.92 ± 0.18 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 4 |
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 | 0.0823 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1198 |
Weighted residual factors for all reflections included in the refinement | 0.1347 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
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