Crystallography Open Database

Information card for entry 1567695

Preview

Coordinates	1567695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 O2
Calculated formula	C32 H30 O2
SMILES	O1c2ccc(cc2)/C(=C(\c2ccc(OCCCCCC1)cc2)c1ccccc1)c1ccccc1
Title of publication	[2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins
Authors of publication	Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	41
Pages of publication	12239 - 12244
a	9.5099 ± 0.0004 Å
b	9.8152 ± 0.0004 Å
c	13.7004 ± 0.0005 Å
α	90°
β	105.846 ± 0.001°
γ	90°
Cell volume	1230.22 ± 0.09 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1567695.html