Crystallography Open Database

Information card for entry 7157362

Preview

Coordinates	7157362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H70 N2 O23
Calculated formula	C70 H70 N2 O23
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	13.2399 ± 0.0005 Å
b	15.4494 ± 0.0006 Å
c	15.6625 ± 0.0006 Å
α	80.635 ± 0.002°
β	85.048 ± 0.002°
γ	74.885 ± 0.002°
Cell volume	3048.4 ± 0.2 Å³
Cell temperature	99.98 K
Ambient diffraction temperature	99.98 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	7157362.cif
248407	2020-02-23	cif/ Adding structures of 7157362, 7157363, 7157364, 7157365 via cif-deposit CGI script.	7157362.cif