Crystallography Open Database

Information card for entry 7120041

7120040 << 7120041 >> 7120042

Preview

Coordinates	7120041.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	BODIPY
Formula	C25 H37 B F2 N2 Si
Calculated formula	C25 H37 B F2 N2 Si
SMILES	B1(F)(F)[n]2c(cc(c2=C(c2c(c(c(C)n12)C#C[Si](C)(C)C)C)CCCCCCC)C)C
Title of publication	One-pot synthesis and properties of well-defined butadiynylene-BODIPY oligomers
Authors of publication	Zhang, Wenxing; Sheng, Wanle; Yu, Changjiang; Wei, Yun; Wang, Hua; Hao, Erhong; Jiao, Lijuan
Journal of publication	Chem. Commun.
Year of publication	2017
a	12.2544 ± 0.0013 Å
b	14.7011 ± 0.0016 Å
c	15.7192 ± 0.0017 Å
α	72.214 ± 0.002°
β	87.95 ± 0.002°
γ	87.46 ± 0.002°
Cell volume	2693.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1884
Residual factor for significantly intense reflections	0.1007
Weighted residual factors for significantly intense reflections	0.3155
Weighted residual factors for all reflections included in the refinement	0.4048
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
195835 (current)	2017-04-28	cif/ Adding structures of 7120041, 7120042, 7120043, 7120044, 7120045 via cif-deposit CGI script.	7120041.cif