Crystallography Open Database

Information card for entry 7122458

Preview

Coordinates	7122458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C295 H52 Br4 N8 S6
Calculated formula	C295 H52 Br4 N8 S6
Title of publication	Solvent-promoted catalyst-free regioselective N-incorporation multicomponent domino reaction: rapid assembly of π-functionalized [60]fullerene-fused dihydrocarbolines.
Authors of publication	Liu, Tong-Xin; Yue, Shuaishuai; Wei, Changgeng; Ma, Nana; Zhang, Pengling; Liu, Qingfeng; Zhang, Guisheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	95
Pages of publication	13331 - 13334
a	14.3499 ± 0.0003 Å
b	16.3659 ± 0.0003 Å
c	18.7206 ± 0.0003 Å
α	112.433 ± 0.002°
β	94.237 ± 0.002°
γ	102.687 ± 0.002°
Cell volume	3903.5 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1581
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228528 (current)	2019-11-17	cif/ Updating files of 7122458 Original log message: Adding full bibliography for 7122458.cif.	7122458.cif
211467	2018-10-16	cif/ Adding structures of 7122458 via cif-deposit CGI script.	7122458.cif