Crystallography Open Database

Information card for entry 7157365

Preview

Coordinates	7157365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H65 N3 O21
Calculated formula	C68 H65 N3 O21
Title of publication	Mono-functionalized derivatives and revised configurational assignment of amide naphthotubes.
Authors of publication	Yao, Huan; Wang, Xiaoping; Xie, Mo; Wang, Yu-Mei; Quan, Mao; Yang, Liu-Pan; Jiang, Wei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	10
Pages of publication	1900 - 1909
a	18.6966 ± 0.001 Å
b	19.0196 ± 0.001 Å
c	18.8502 ± 0.001 Å
α	90°
β	111.438 ± 0.003°
γ	90°
Cell volume	6239.4 ± 0.6 Å³
Cell temperature	100.03 K
Ambient diffraction temperature	100.03 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0869
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.189
Weighted residual factors for all reflections included in the refinement	0.2028
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
250356 (current)	2020-04-05	cif/ Updating files of 7157362, 7157363, 7157364, 7157365 Original log message: Adding full bibliography for 7157362--7157365.cif.	7157365.cif
248407	2020-02-23	cif/ Adding structures of 7157362, 7157363, 7157364, 7157365 via cif-deposit CGI script.	7157365.cif