Crystallography Open Database

Information card for entry 7155837

Preview

Coordinates	7155837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 N3 O8
Calculated formula	C21 H25 N3 O8
SMILES	c1cc(ccc1[C@H]1[C@](C#N)(C(=O)N)[C@](C(=O)OC)(CC(=O)OC)N[C@@H]1C(=O)OCC)OC.c1cc(ccc1[C@@H]1[C@@](C#N)(C(=O)N)[C@@](C(=O)OC)(CC(=O)OC)N[C@H]1C(=O)OCC)OC
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	10.3301 ± 0.0013 Å
b	10.6104 ± 0.0013 Å
c	12.2479 ± 0.0015 Å
α	68.368 ± 0.003°
β	82.297 ± 0.003°
γ	61.873 ± 0.003°
Cell volume	1099.2 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	7155837.cif