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Information card for entry 7132142
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Coordinates | 7132142.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H28 N4 O |
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Calculated formula | C25 H28 N4 O |
Title of publication | N-Heterocyclic Imino Catalyzed 1,4-Regioselective Azide-Alkyne Cycloaddition (AAC): A Metal-free Approach |
Authors of publication | Revathi, Shanmugam; Lalasaheb, Aditya Shinde; Mulimani, Rajashekhar K.; Mandal, Debasish; Maity, Amit Ranjan; Garai, Somenath; Ghatak, Tapas |
Journal of publication | Chemical Communications |
Year of publication | 2023 |
a | 8.0389 ± 0.0017 Å |
b | 31.902 ± 0.007 Å |
c | 9.109 ± 0.002 Å |
α | 90° |
β | 109.917 ± 0.006° |
γ | 90° |
Cell volume | 2196.3 ± 0.8 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 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 | 0.0699 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.1046 |
Weighted residual factors for all reflections included in the refinement | 0.1192 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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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286432 (current) | 2023-09-21 | cif/ Adding structures of 7132142 via cif-deposit CGI script. |
7132142.cif |
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