Crystallography Open Database

Information card for entry 7122219

Preview

Coordinates	7122219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Br I2 O2
Calculated formula	C24 H19 Br I2 O2
SMILES	[I+](c1ccc(O)cc1)c1ccccc1.[Br-].[I+](c1ccccc1)c1ccc([O-])cc1
Title of publication	Preparation and structure of phenolic aryliodonium salts.
Authors of publication	Yoshimura, Akira; Shea, Michael T.; Guselnikova, Olga; Postnikov, Pavel S.; Rohde, Gregory T.; Saito, Akio; Yusubov, Mekhman S.; Nemykin, Victor N.; Zhdankin, Viktor V.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	73
Pages of publication	10363 - 10366
a	11.0912 ± 0.0003 Å
b	18.5647 ± 0.0013 Å
c	10.9748 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2259.76 ± 0.17 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0432
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228049 (current)	2019-11-17	cif/ Updating files of 7122217, 7122218, 7122219, 7122220, 7122221, 7122222 Original log message: Adding full bibliography for 7122217--7122222.cif.	7122219.cif
210062	2018-08-23	cif/ Adding structures of 7122217, 7122218, 7122219, 7122220, 7122221, 7122222 via cif-deposit CGI script.	7122219.cif