Crystallography Open Database

Information card for entry 1560840

Preview

Coordinates	1560840.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C37H25NO
Formula	C37 H25 N O
Calculated formula	C37 H25 N O
SMILES	c12C3(c4cc(N(c5ccccc5)c5ccccc5)ccc4c4c3cccc4)c3c(Oc2cccc1)cccc3
Title of publication	Organic Micro-/Nanocrystals of SFX-Based Attractor‒Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement
Authors of publication	Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2021
Journal volume	125
Journal issue	11
Pages of publication	6249 - 6259
a	16.7002 ± 0.0012 Å
b	8.989 ± 0.0007 Å
c	17.8237 ± 0.0014 Å
α	90°
β	96.9476 ± 0.0018°
γ	90°
Cell volume	2656 ± 0.4 Å³
Cell temperature	297 K
Ambient diffraction temperature	297.41 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0908
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.0314
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263599 (current)	2021-04-04	cif/ Updating files of 1560840, 1560841 Original log message: Adding full bibliography for 1560840--1560841.cif.	1560840.cif
262776	2021-03-06	cif/ Adding structures of 1560840 via cif-deposit CGI script.	1560840.cif