Crystallography Open Database

Information card for entry 4088031

Preview

Coordinates	4088031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Br P
Calculated formula	C24 H18 Br P
SMILES	P(c1ccccc1)(c1ccc2c3c1c(Br)ccc3CC2)c1ccccc1
Title of publication	Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates
Authors of publication	Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	21
Pages of publication	5341
a	10.9091 ± 0.0003 Å
b	8.4128 ± 0.0002 Å
c	20.1396 ± 0.0005 Å
α	90°
β	94.569 ± 0.001°
γ	90°
Cell volume	1842.46 ± 0.08 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237228 (current)	2019-11-24	cif/ Adding structures of 4088031, 4088032, 4088033, 4088034, 4088035, 4088036, 4088037, 4088038, 4088039, 4088040, 4088041, 4088042, 4088043, 4088044, 4088045, 4088046 via cif-deposit CGI script.	4088031.cif