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Information card for entry 7716185
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7716185.cif |
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Original paper (by DOI) | HTML |
Formula | C49 H56 N2 O2 |
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Calculated formula | C49 H56 N2 O2 |
Title of publication | Zinc amidinate-catalysed cyclization reaction of carbodiimides and alkynes. An insight into the mechanism. |
Authors of publication | Parra-Cadenas, Blanca; Ginés, Carlos; García-Vivó, Daniel; Elorriaga, David; Carrillo-Hermosilla, Fernando |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2024 |
Journal volume | 53 |
Journal issue | 24 |
Pages of publication | 10050 - 10054 |
a | 9.426 ± 0.002 Å |
b | 10.912 ± 0.002 Å |
c | 21.672 ± 0.005 Å |
α | 102.253 ± 0.003° |
β | 97.132 ± 0.003° |
γ | 103.187 ± 0.003° |
Cell volume | 2085.7 ± 0.8 Å3 |
Cell temperature | 296.15 K |
Ambient diffraction temperature | 296.15 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 | 0.1216 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.143 |
Weighted residual factors for all reflections included in the refinement | 0.1779 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7716185.html
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