Crystallography Open Database

Information card for entry 4308238

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Coordinates	4308238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H43 Cu N2 S
Calculated formula	C33 H43 Cu N2 S
SMILES	[Cu](Sc1ccccc1)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Addition of S-H Bonds across Electron-Deficient Olefins Catalyzed by Well-Defined Copper(I) Thiolate Complexes
Authors of publication	Samuel A. Delp; Colleen Munro-Leighton; Laurel A. Goj; Magaly A. Ramírez; T. Brent Gunnoe; Jeffrey L. Petersen; Paul D. Boyle
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2365 - 2367
a	16.7295 ± 0.0014 Å
b	12.5227 ± 0.0011 Å
c	14.9627 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3134.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	4308233
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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