Crystallography Open Database

Information card for entry 1570979

Preview

Coordinates	1570979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H23 Br N2 O
Calculated formula	C31 H23 Br N2 O
SMILES	Brc1c(/N=C/c2cc(ccc2O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cccc1
Title of publication	Multi-site isomerization of synergistically regulated stimuli-responsive AIE materials toward multi-level decryption.
Authors of publication	Zhong, Weiren; Zhang, Jianyu; Lin, Yuting; Li, Shouji; Yang, Yalan; Wang, Wen-Jin; Si, Chuanling; Kühn, Fritz E; Zhao, Zheng; Cai, Xu-Min; Tang, Ben Zhong
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	11
Pages of publication	3920 - 3927
a	19.02 ± 0.03 Å
b	13.3 ± 0.018 Å
c	9.799 ± 0.014 Å
α	90°
β	100.93 ± 0.03°
γ	90°
Cell volume	2434 ± 6 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2126
Residual factor for significantly intense reflections	0.0952
Weighted residual factors for significantly intense reflections	0.1768
Weighted residual factors for all reflections included in the refinement	0.2291
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
290854 (current)	2024-04-05	cif/ Updating files of 1570978, 1570979 Original log message: Adding full bibliography for 1570978--1570979.cif.	1570979.cif
289792	2024-02-13	cif/ Adding structures of 1570978, 1570979 via cif-deposit CGI script.	1570979.cif