Crystallography Open Database

Information card for entry 1555284

Preview

Coordinates	1555284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H29 N O
Calculated formula	C19 H29 N O
SMILES	c1c(cc(c2c1N1[C@H](CC[C@@H]1O2)C)C(C)(C)C)C(C)(C)C.c1c(cc(c2c1N1[C@@H](CC[C@H]1O2)C)C(C)(C)C)C(C)(C)C
Title of publication	Redox-Triggered α-C-H Functionalization of Pyrrolidines: Synthesis of Unsymmetrically 2,5-Disubstituted Pyrrolidines.
Authors of publication	Cheng, Yong-Feng; Rong, Hao-Jie; Yi, Cheng-Bo; Yao, Jun-Jun; Qu, Jin
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	19
Pages of publication	4758 - 4761
a	27.579 ± 0.006 Å
b	8.3362 ± 0.0017 Å
c	17.969 ± 0.004 Å
α	90°
β	122.94 ± 0.03°
γ	90°
Cell volume	3467 ± 1.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0982
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.2453
Weighted residual factors for all reflections included in the refinement	0.26
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238436 (current)	2019-11-24	cif/ Adding structures of 1555284 via cif-deposit CGI script.	1555284.cif