Crystallography Open Database

Information card for entry 7155833

Preview

Coordinates	7155833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 Cl N2 O8
Calculated formula	C22 H25 Cl N2 O8
SMILES	c1cc(ccc1[C@@H]1[C@@](C#N)(C(=O)OCC)[C@@](C(=O)OC)(CC(=O)OC)N[C@H]1C(=O)OCC)Cl.c1cc(ccc1[C@H]1[C@](C#N)(C(=O)OCC)[C@](C(=O)OC)(CC(=O)OC)N[C@@H]1C(=O)OCC)Cl
Title of publication	Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction
Authors of publication	Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo
Journal of publication	Org. Biomol. Chem.
Year of publication	2017
a	20.981 ± 0.003 Å
b	11.5804 ± 0.0017 Å
c	20.012 ± 0.003 Å
α	90°
β	100.351 ± 0.005°
γ	90°
Cell volume	4783.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0841
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1647
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
199848 (current)	2017-08-19	cif/ Adding structures of 7155833, 7155834, 7155835, 7155836, 7155837, 7155838, 7155839, 7155840 via cif-deposit CGI script.	7155833.cif