Crystallography Open Database

Information card for entry 7157363

Preview

Coordinates	7157363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H54 N2 O17
Calculated formula	C65 H54 N2 O17
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	9.7417 ± 0.0004 Å
b	11.8403 ± 0.0005 Å
c	11.9923 ± 0.0005 Å
α	96.716 ± 0.003°
β	99.839 ± 0.003°
γ	94.798 ± 0.003°
Cell volume	1345.94 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.01 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	0.1041
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.2376
Weighted residual factors for all reflections included in the refinement	0.2558
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
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.	7157363.cif
248407	2020-02-23	cif/ Adding structures of 7157362, 7157363, 7157364, 7157365 via cif-deposit CGI script.	7157363.cif