Crystallography Open Database

Information card for entry 7246945

Preview

Coordinates	7246945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H21 F3
Calculated formula	C30 H21 F3
SMILES	FC(F)(F)c1ccc2C(=C(C(c2c1)(C=C)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Pd-catalyzed intermolecular consecutive double Heck reaction "on water" under air: facile synthesis of substituted indenes.
Authors of publication	Wei, Dong; Lu, Han-Yu; Miao, Han-Zhe; Feng, Chen-Guo; Lin, Guo-Qiang; Liu, Yingbin
Journal of publication	RSC advances
Year of publication	2023
Journal volume	13
Journal issue	28
Pages of publication	19312 - 19316
a	9.2609 ± 0.0001 Å
b	10.8518 ± 0.0002 Å
c	11.3998 ± 0.0002 Å
α	73.331 ± 0.001°
β	86.722 ± 0.001°
γ	83.724 ± 0.001°
Cell volume	1090.53 ± 0.03 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.01 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1194
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284675 (current)	2023-06-29	cif/ Adding structures of 7246945 via cif-deposit CGI script.	7246945.cif