Crystallography Open Database

Information card for entry 1556629

Preview

Coordinates	1556629.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	7-fluoro-1,3-dimethyl-9H-fluorene
Formula	C15 H13 F
Calculated formula	C15 H13 F
SMILES	Fc1ccc2c3cc(cc(C)c3Cc2c1)C
Title of publication	A denitrogenative palladium-catalyzed cascade for regioselective synthesis of fluorenes
Authors of publication	Fu, Wai Chung; Kwong, Fuk Yee
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	5
Pages of publication	1411 - 1417
a	13.5004 ± 0.0007 Å
b	5.6062 ± 0.0002 Å
c	15.1666 ± 0.0008 Å
α	90°
β	104.738 ± 0.0015°
γ	90°
Cell volume	1110.13 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
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	0.0605
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
257304 (current)	2020-10-06	cif/ Updating files of 1556629 Original log message: Adding full bibliography for 1556629.cif.	1556629.cif
248876	2020-03-05	cif/ Updating files of 1556629 Original log message: Adding full bibliography for 1556629.cif.	1556629.cif
245294	2019-12-18	cif/ Adding structures of 1556629 via cif-deposit CGI script.	1556629.cif