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Information card for entry 1520340
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1520340.cif |
---|
Formula | C40 H44 Br1.32 Cl0.68 O6 S32 |
---|---|
Calculated formula | C40 H44 Br1.32 Cl0.68 O6 S32 |
Title of publication | C40H44Br1.32Cl0.68O6S32 |
Authors of publication | Martin, Lee; Horton, Peter N.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2009 |
Pages of publication | 1233 |
a | 32.736 ± 0.002 Å |
b | 6.6793 ± 0.0005 Å |
c | 14.7618 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3227.7 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 54 |
Hermann-Mauguin space group symbol | P c c a |
Hall space group symbol | -P 2a 2ac |
Residual factor for all reflections | 0.0698 |
Residual factor for significantly intense reflections | 0.0474 |
Weighted residual factors for significantly intense reflections | 0.1041 |
Weighted residual factors for all reflections included in the refinement | 0.1125 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1520340.html
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