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Information card for entry 4514340
Preview
Coordinates | 4514340.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H19 N3 O2 |
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Calculated formula | C17 H19 N3 O2 |
Title of publication | Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis |
Authors of publication | Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz |
Journal of publication | ACS Catalysis |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 2 |
Pages of publication | 886 |
a | 10.0431 ± 0.001 Å |
b | 9.7828 ± 0.0011 Å |
c | 15.4733 ± 0.0011 Å |
α | 90° |
β | 99.887 ± 0.004° |
γ | 90° |
Cell volume | 1497.7 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100.01 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0452 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1176 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
206122 (current) | 2018-02-04 | cif/ Updating files of 4514336, 4514337, 4514338, 4514339, 4514340 Original log message: Adding full bibliography for 4514336--4514340.cif. |
4514340.cif |
204694 | 2018-01-04 | cif/ Adding structures of 4514340 via cif-deposit CGI script. |
4514340.cif |
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Users of the data should acknowledge the original authors of the
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