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Information card for entry 7044431
Preview
Coordinates | 7044431.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H29 N5 O Zn |
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Calculated formula | C21 H29 N5 O Zn |
SMILES | [Zn]12(OC(c3ccc(cc3)N(C)C)C(n3[n]2c(cc3C)C)n2[n]1c(cc2C)C)C |
Title of publication | Mono- and Binuclear Chiral N,N,O-Scorpionate Zinc Alkyls as Efficient Initiators for the ROP of rac-Lactide. |
Authors of publication | Otero, Antonio; Juan, Fernandez-Baeza; SÁNCHEZ-BARBA MERLO, LUIS FERNANDO; Sobrino Ramírez, Sonia; Garcés Osado, Andrés; Lara, Agustin; Rodríguez, Ana María |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 13.201 ± 0.003 Å |
b | 15.952 ± 0.003 Å |
c | 10.31 ± 0.002 Å |
α | 90° |
β | 91.966 ± 0.003° |
γ | 90° |
Cell volume | 2169.8 ± 0.8 Å3 |
Cell temperature | 240 ± 2 K |
Ambient diffraction temperature | 240 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.066 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.0933 |
Weighted residual factors for all reflections included in the refinement | 0.1026 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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