Crystallography Open Database

Information card for entry 7121261

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Structure parameters

Chemical name	(2S,4S)-2-((tert-butyldiphenylsilyl)oxy)-2-phenyl-1-tosyl-4-vinylpyrrolidine
Formula	C35 H39 N O3 S Si
Calculated formula	C35 H39 N O3 S Si
SMILES	[Si](O[C@]1(N(S(=O)(=O)c2ccc(cc2)C)C[C@@H](C1)C=C)c1ccccc1)(c1ccccc1)(c1ccccc1)C(C)(C)C
Title of publication	Divergent synthesis of functionalized pyrrolidines and γ-amino ketones via rhodium-catalyzed switchable reactions of vinyl aziridines and silyl enol ethers.
Authors of publication	Zhu, Chao-Ze; Feng, Jian-Jun; Zhang, Junliang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	19
Pages of publication	2401 - 2404
a	8.4929 ± 0.0013 Å
b	9.8371 ± 0.0016 Å
c	39.949 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3337.6 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0882
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7121261.cif
228263	2019-11-17	cif/ Updating files of 7121261 Original log message: Adding full bibliography for 7121261.cif.	7121261.cif
206320	2018-02-09	cif/ Adding structures of 7121261 via cif-deposit CGI script.	7121261.cif