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Information card for entry 1572853
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Coordinates | 1572853.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H30 N4 Si |
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Calculated formula | C15 H30 N4 Si |
Title of publication | Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C=C bond formation, and access to N-heterocyclic methylenehydrazine |
Authors of publication | Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya Singha |
Journal of publication | Chemical Science |
Year of publication | 2024 |
a | 10.1752 ± 0.0012 Å |
b | 18.596 ± 0.003 Å |
c | 19.949 ± 0.003 Å |
α | 105.886 ± 0.004° |
β | 94.06 ± 0.005° |
γ | 91.388 ± 0.004° |
Cell volume | 3617.7 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1098 |
Residual factor for significantly intense reflections | 0.1004 |
Weighted residual factors for significantly intense reflections | 0.2341 |
Weighted residual factors for all reflections included in the refinement | 0.2381 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.223 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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295411 (current) | 2024-10-10 | cif/ Adding structures of 1572840, 1572841, 1572842, 1572843, 1572844, 1572845, 1572846, 1572847, 1572848, 1572849, 1572850, 1572851, 1572852, 1572853 via cif-deposit CGI script. |
1572853.cif |
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Users of the data should acknowledge the original authors of the
structural data.