Crystallography Open Database

Information card for entry 7234995

Preview

Coordinates	7234995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 K N O3
Calculated formula	C22 H26 K N O3
Title of publication	The structural diversity of heterocycle-fused potassium cyclopentadienides
Authors of publication	Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	50
Pages of publication	29195
a	10.9961 ± 0.0006 Å
b	17.9129 ± 0.001 Å
c	10.9897 ± 0.0006 Å
α	90°
β	111.963 ± 0.0012°
γ	90°
Cell volume	2007.57 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0468
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
223459 (current)	2019-11-07	cif/ Adding structures of 7234992, 7234993, 7234994, 7234995 via cif-deposit CGI script.	7234995.cif