Crystallography Open Database

Information card for entry 7159305

Preview

Coordinates	7159305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 N3 O
Calculated formula	C16 H13 N3 O
Title of publication	Divergent synthesis of two types of indolizines from pyridine-2-acetonitrile, (hetero)arylglyoxal, and TMSCN.
Authors of publication	Nam, Seonghyeon; Lee, Sunhee; Kim, Woojin; Kim, Ikyon
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	18
Pages of publication	3881 - 3895
a	8.7205 ± 0.0014 Å
b	13.737 ± 0.003 Å
c	11.3839 ± 0.0019 Å
α	90°
β	100.158 ± 0.016°
γ	90°
Cell volume	1342.3 ± 0.4 Å³
Cell temperature	293.9 ± 0.7 K
Ambient diffraction temperature	293.9 ± 0.7 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1816
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.1788
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation probe	x-ray
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
284328 (current)	2023-06-05	cif/ Updating files of 7159305, 7159306 Original log message: Adding full bibliography for 7159305--7159306.cif.	7159305.cif
282717	2023-04-19	cif/ Adding structures of 7159305, 7159306 via cif-deposit CGI script.	7159305.cif