Crystallography Open Database

Information card for entry 1572706

Preview

Coordinates	1572706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C119 H140 N8 O13
Calculated formula	C119 H140 N8 O13
Title of publication	Tether-entangled conjugated helices.
Authors of publication	Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	41
Pages of publication	17128 - 17149
a	13.8368 ± 0.0013 Å
b	22.1444 ± 0.0019 Å
c	17.5091 ± 0.0016 Å
α	90°
β	110.064 ± 0.004°
γ	90°
Cell volume	5039.3 ± 0.8 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0962
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.1908
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296365 (current)	2024-12-06	cif/ Updating files of 1572702, 1572703, 1572704, 1572705, 1572706, 1572707, 1572708 Original log message: Adding full bibliography for 1572702--1572708.cif.	1572706.cif
294925	2024-09-28	cif/ Adding structures of 1572702, 1572703, 1572704, 1572705, 1572706, 1572707, 1572708 via cif-deposit CGI script.	1572706.cif