Crystallography Open Database

Information card for entry 7131697

Preview

Coordinates	7131697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H70 B20 Cl2 N4 O4
Calculated formula	C77 H70 B20 Cl2 N4 O4
Title of publication	Carborane based chalcogen-fused phenazines for visible light induced ATRP.
Authors of publication	Yang, Xiaodong; Li, Haishuang; Shao, Dong; He, Gang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	49
Pages of publication	7643 - 7646
a	15.168 ± 0.01 Å
b	15.529 ± 0.01 Å
c	17.352 ± 0.011 Å
α	65.517 ± 0.009°
β	76.901 ± 0.01°
γ	82.058 ± 0.01°
Cell volume	3618 ± 4 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.1795
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.211
Weighted residual factors for all reflections included in the refinement	0.2967
Goodness-of-fit parameter for all reflections included in the refinement	0.847
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/7131697.html