Crystallography Open Database

Information card for entry 4031285

Preview

Coordinates	4031285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 Cl
Calculated formula	C21 H17 Cl
SMILES	c12c3ccccc3C(c1cccc2)CCc1ccc(cc1)Cl
Title of publication	Pd(0)-Catalyzed Cross-Coupling of 1,1-Diboronates with 2,2'-Dibromobiphenyls: Synthesis of 9H-Fluorenes.
Authors of publication	Xu, Shuai; Shangguan, Xianghang; Li, Huan; Zhang, Yan; Wang, Jianbo
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	15
Pages of publication	7779 - 7784
a	17.0568 ± 0.0011 Å
b	5.3536 ± 0.0003 Å
c	18.9471 ± 0.0012 Å
α	90°
β	114.21 ± 0.008°
γ	90°
Cell volume	1577.99 ± 0.19 Å³
Cell temperature	180.01 ± 0.1 K
Ambient diffraction temperature	180.01 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
154693 (current)	2015-09-06	cif/ Updating files of 4031285 Original log message: Adding full bibliography for 4031285.cif.	4031285.cif
152143	2015-07-17	cif/ Adding structures of 4031285 via cif-deposit CGI script.	4031285.cif