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Information card for entry 4108698
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Coordinates | 4108698.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47.43 H34.58 Cu N4 O1.86 |
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Calculated formula | C47.432 H34.58 Cu N4 O1.858 |
Title of publication | Expansion by Contraction: Diversifying the Photochemical Reactivity Scope of Diazo-oxochlorins toward Development of in Situ Alkylating Agents |
Authors of publication | Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 15864 - 15871 |
a | 13.552 ± 0.003 Å |
b | 18.959 ± 0.005 Å |
c | 14.881 ± 0.003 Å |
α | 90° |
β | 109.326 ± 0.005° |
γ | 90° |
Cell volume | 3608 ± 1.4 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 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 | 0.0951 |
Residual factor for significantly intense reflections | 0.0595 |
Weighted residual factors for significantly intense reflections | 0.1475 |
Weighted residual factors for all reflections included in the refinement | 0.166 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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