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Information card for entry 1572950
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Coordinates | 1572950.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2-(3,4,5-Triphenylphenyl)acetic acid acetonitrile monosolvate |
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Formula | C28 H23 N O2 |
Calculated formula | C28 H23 N O2 |
Authors of publication | Seidel, Pierre; Gottwald, Franziska; Meier, Eric; Mazik, Monika |
Year of publication | 2024 |
a | 10.0737 ± 0.0005 Å |
b | 11.1039 ± 0.0006 Å |
c | 11.5835 ± 0.0006 Å |
α | 107.025 ± 0.004° |
β | 114.263 ± 0.004° |
γ | 93.898 ± 0.004° |
Cell volume | 1102.82 ± 0.11 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0551 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
295622 (current) | 2024-10-25 | cif/ Adding structures of 1572950 via cif-deposit CGI script. |
1572950.cif |
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Users of the data should acknowledge the original authors of the
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