Crystallography Open Database

Information card for entry 1572708

Preview

Coordinates	1572708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H104 Br4 Cl2 N10 O8
Calculated formula	C103 H104 Br4 Cl2 N10 O8
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	40.326 ± 0.002 Å
b	20.5209 ± 0.0011 Å
c	16.032 ± 0.0009 Å
α	90°
β	110.733 ± 0.002°
γ	90°
Cell volume	12407.7 ± 1.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1158
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1911
Weighted residual factors for all reflections included in the refinement	0.2218
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
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.	1572708.cif
294925	2024-09-28	cif/ Adding structures of 1572702, 1572703, 1572704, 1572705, 1572706, 1572707, 1572708 via cif-deposit CGI script.	1572708.cif