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Information card for entry 4024187
Preview
Coordinates | 4024187.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H21 N3 O6 |
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Calculated formula | C22 H21 N3 O6 |
SMILES | N12N(C(=O)N(C1=O)c1ccccc1)C(CC2(C(=O)OC)C(=O)OC)c1ccc(cc1)C |
Title of publication | GaCl~3~-Catalyzed Insertion of Diazene Derivatives into the Cyclopropane Ring |
Authors of publication | Vadim S. Korotkov; Oleg V. Larionov; Anja Hofmeister; Jörg Magull; Armin de Meijere |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 7504 - 7510 |
a | 8.9223 ± 0.001 Å |
b | 11.0696 ± 0.0012 Å |
c | 11.9651 ± 0.0014 Å |
α | 67.507 ± 0.008° |
β | 74.357 ± 0.009° |
γ | 72.459 ± 0.009° |
Cell volume | 1025 ± 0.2 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 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 | 0.0651 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.0713 |
Weighted residual factors for all reflections included in the refinement | 0.077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4024187.html
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