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Information card for entry 1553957
Preview
Coordinates | 1553957.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50.5 H49 Cl I N3 O5 |
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Calculated formula | C50.5 H49 Cl I N3 O5 |
Title of publication | An uncommon multicomponent reaction involving nucleophilic heterocyclic carbenes: facile synthesis of fully substituted cyclopentanones |
Authors of publication | Krishnan, Jagadeesh; Jose, Anu; Sasidhar, B. S.; Suresh, E.; Menon, Rajeev S.; Nair, Vijay |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 7 |
Pages of publication | 1202 |
a | 29.069 ± 0.003 Å |
b | 16.647 ± 0.0018 Å |
c | 23.834 ± 0.003 Å |
α | 90° |
β | 124.203 ± 0.002° |
γ | 90° |
Cell volume | 9538.8 ± 1.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0456 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0878 |
Weighted residual factors for all reflections included in the refinement | 0.0913 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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