Crystallography Open Database

Information card for entry 1568278

Preview

Coordinates	1568278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H17 N5
Calculated formula	C32 H17 N5
Title of publication	Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion.
Authors of publication	Chen, Jinqiu; Yang, Canglei; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Zhang, Jing
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	8
Pages of publication	2091 - 2096
a	11.115 ± 0.0006 Å
b	7.4032 ± 0.0005 Å
c	41.998 ± 0.003 Å
α	90°
β	93.75 ± 0.005°
γ	90°
Cell volume	3448.5 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1892
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281346 (current)	2023-03-04	cif/ Updating files of 1568278, 1568279 Original log message: Adding full bibliography for 1568278--1568279.cif.	1568278.cif
280401	2023-01-18	cif/ Adding structures of 1568278, 1568279 via cif-deposit CGI script.	1568278.cif