Crystallography Open Database

Information card for entry 4131598

Preview

Coordinates	4131598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H35 N1.5
Calculated formula	C44 H35 N1.5
Title of publication	Fluorenyl Based Macrocyclic Polyradicaloids.
Authors of publication	Lu, Xuefeng; Lee, Sangsu; Hong, Yongseok; Phan, Hoa; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Tanaka, Takayuki; Sandoval-Salinas, María Eugenia; Zeng, Wangdong; Ding, Jun; Casanova, David; Osuka, Atsuhiro; Kim, Dongho; Wu, Jishan
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	37
Pages of publication	13173 - 13183
a	21.096 ± 0.006 Å
b	36.965 ± 0.01 Å
c	44.576 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	34761 ± 17 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	3
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1201
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.243
Weighted residual factors for all reflections included in the refinement	0.276
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241775 (current)	2019-11-25	cif/ Adding structures of 4131598 via cif-deposit CGI script.	4131598.cif