Crystallography Open Database

Information card for entry 7052854

Preview

Coordinates	7052854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34.56 N4 O17.28
Calculated formula	C44 H34.556 N4 O17.278
Title of publication	Combining topochemical [2+2] photoreactions and hydrothermal isomerisation for the regioselective and quantitative preparation ofrtct-pyridylcyclobutanes
Authors of publication	Hill, Yennifer; Linares, Maholy; Briceño, Alexander
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	3
Pages of publication	554
a	11.207 ± 0.0018 Å
b	10.5278 ± 0.0015 Å
c	17.198 ± 0.003 Å
α	90°
β	96.718 ± 0.004°
γ	90°
Cell volume	2015.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1503
Weighted residual factors for all reflections included in the refinement	0.1665
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7052854.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052854.cif
37719	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7052853, 7052854, 7052855 via cif-deposit CGI script.	7052854.cif