Crystallography Open Database

Information card for entry 4034405

Preview

Coordinates	4034405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H65 B F2 N2
Calculated formula	C75 H65 B F2 N2
Title of publication	Phenanthro[<i>b</i>]-Fused BODIPYs through Tandem Suzuki and Oxidative Aromatic Couplings: Synthesis and Photophysical Properties.
Authors of publication	Miao, Wei; Feng, Yuanmei; Wu, Qinghua; Sheng, Wanle; Li, Mao; Liu, Qingyun; Hao, Erhong; Jiao, Lijuan
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	15
Pages of publication	9693 - 9704
a	9.4881 ± 0.0008 Å
b	34.08 ± 0.004 Å
c	21.122 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6829.9 ± 1.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.1163
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1591
Weighted residual factors for all reflections included in the refinement	0.1828
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4034405.html