Crystallography Open Database

Information card for entry 7244298

Preview

Coordinates	7244298.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetramethyl 1,4(1,4)-dibenzenacyclohexaphane-1^2^,1^5^-diylbis(phosphonate)
Formula	C20 H26 O6 P2
Calculated formula	C20 H26 O6 P2
Title of publication	C–P bond formation of cyclophanyl-, and aryl halides via a UV-induced photo Arbuzov reaction: a versatile portal to phosphonate-grafted scaffolds
Authors of publication	Oßwald, Simon; Zippel, Christoph; Hassan, Zahid; Nieger, Martin; Bräse, Stefan
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	6
Pages of publication	3309 - 3312
a	21.1103 ± 0.0013 Å
b	21.6232 ± 0.0014 Å
c	8.7121 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3976.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0213
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272241 (current)	2022-01-26	cif/ Adding structures of 7244298 via cif-deposit CGI script.	7244298.cif