Crystallography Open Database

Information card for entry 7119168

7119167 << 7119168 >> 7119169

Preview

Coordinates	7119168.cif
External links	PubChem

Structure parameters

Formula	C22 H23 N3 O4
Calculated formula	C22 H23 N3 O4
SMILES	O=C1Oc2cc(N(CC)CC)ccc2C=C1/C=N/NC(=O)c1ccc(OC)cc1
Title of publication	Synthesis and piezochromic luminescence study of a coumarin hydrozone compound
Authors of publication	Haiyan Yu; Wang Ren; Hongguang Lu; Yanan Liang; Qiusheng Wang
Journal of publication	Chem.Commun.
Year of publication	2016
Journal volume	52
Pages of publication	7387
a	10.9129 ± 0.0004 Å
b	7.8194 ± 0.0003 Å
c	22.428 ± 0.0008 Å
α	90°
β	97.304 ± 0.002°
γ	90°
Cell volume	1898.3 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0431
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7119168.cif
186023	2016-08-26	cif/ Adding structures of 7119168 via cif-deposit CGI script.	7119168.cif