Crystallography Open Database

Information card for entry 1572973

Preview

Coordinates	1572973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 N O3
Calculated formula	C20 H21 N O3
Title of publication	Fine-tuning the molecular conformation and packing structures of coumarin-based luminogens to achieve distinct piezochromic properties upon mechanical grinding and under hydrostatic pressures.
Authors of publication	Fu, Shijie; Jia, Hao; Meng, Xinmiao; Wang, Chengyuan; Li, Qian; Li, Lei; Yang, Jiaxiang; Niu, Helin
Journal of publication	Materials horizons
Year of publication	2024
a	9.2173 ± 0.0014 Å
b	9.4972 ± 0.0011 Å
c	9.5809 ± 0.001 Å
α	88.263 ± 0.009°
β	82.367 ± 0.01°
γ	85.479 ± 0.011°
Cell volume	828.51 ± 0.18 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295675 (current)	2024-10-30	cif/ Adding structures of 1572973, 1572974, 1572975 via cif-deposit CGI script.	1572973.cif