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Information card for entry 4518591
Preview
Coordinates | 4518591.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H13 N O4 |
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Calculated formula | C10 H13 N O4 |
Title of publication | Practical Synthesis and Application of Halogen-Doped Pyrrole Building Blocks |
Authors of publication | Cotman, Andrej Emanuel; Guérin, Thomas; Kovačević, Ivana; Benedetto Tiz, Davide; Durcik, Martina; Fulgheri, Federica; Možina, Štefan; Secci, Daniela; Sterle, Maša; Ilaš, Janez; Zega, Anamarija; Zidar, Nace; Mašič, Lucija Peterlin; Tomašič, Tihomir; Leroux, Frédéric R.; Hanquet, Gilles; Kikelj, Danijel |
Journal of publication | ACS Omega |
Year of publication | 2021 |
a | 12.3507 ± 0.0005 Å |
b | 13.6579 ± 0.0006 Å |
c | 12.1808 ± 0.0005 Å |
α | 90° |
β | 90.577 ± 0.002° |
γ | 90° |
Cell volume | 2054.61 ± 0.15 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 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 | 0.0549 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1414 |
Weighted residual factors for all reflections included in the refinement | 0.1441 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4518591.html
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Users of the data should acknowledge the original authors of the
structural data.