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Information card for entry 4069626
Preview
Coordinates | 4069626.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H33 N O2 W |
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Calculated formula | C20 H33 N O2 W |
SMILES | C(=O)(CC(C)(C)C)[W]123456([CH2]=[C]1(C2)C)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)N=O |
Title of publication | Toward Alkane Functionalization Effected with Cp*W(NO)(alkyl)(η3-allyl) Complexes |
Authors of publication | Semproni, Scott P.; Graham, Peter M.; Buschhaus, Miriam S. A.; Patrick, Brian O.; Legzdins, Peter |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 15 |
Pages of publication | 4480 |
a | 9.2523 ± 0.0008 Å |
b | 17.8946 ± 0.0013 Å |
c | 24.368 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4034.5 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0464 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.0574 |
Weighted residual factors for all reflections included in the refinement | 0.0666 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4069626.html
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