Crystallography Open Database

Information card for entry 4036035

Preview

Coordinates	4036035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 O4
Calculated formula	C24 H18 O4
SMILES	c1(c(c(c2ccccc2)cc(c1)O)c1c(cc(cc1c1ccccc1)O)O)O
Title of publication	Chiral Dinuclear Vanadium Complex-Mediated Oxidative Coupling of Resorcinols.
Authors of publication	Sako, Makoto; Aoki, Takanori; Zumbrägel, Nadine; Schober, Lukas; Gröger, Harald; Takizawa, Shinobu; Sasai, Hiroaki
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	3
Pages of publication	1580 - 1587
a	7.2833 ± 0.0002 Å
b	12.8375 ± 0.0003 Å
c	12.4934 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1168.12 ± 0.09 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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