Crystallography Open Database

Information card for entry 1569283

Preview

Coordinates	1569283.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1
Formula	C22 H19 N O3
Calculated formula	C22 H19 N O3
SMILES	Oc1cc(N2c3ccccc3C(c3c2cccc3)(C)C)ccc1C(=O)O
Title of publication	High-Contrast Visualization Chemiluminescence Based on AIE-Active and Base-Sensitive Emitters.
Authors of publication	Zhang, Xiao-Wen; Chen, Xu-Lin; Lu, Can-Zhong
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2023
Journal volume	28
Journal issue	9
Pages of publication	3976
a	9.0126 ± 0.0003 Å
b	30.5182 ± 0.0012 Å
c	12.6586 ± 0.0005 Å
α	90°
β	103.306 ± 0.001°
γ	90°
Cell volume	3388.3 ± 0.2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.1787
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.1931
Weighted residual factors for all reflections included in the refinement	0.2405
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
299663 (current)	2025-05-14	cif/1: Fixing some Z values and formulae	1569283.cif
284359	2023-06-06	cif/ Adding structures of 1569283 via cif-deposit CGI script.	1569283.cif