Crystallography Open Database

Information card for entry 7062096

7062095 << 7062096 >> 7062097

Preview

Coordinates	7062096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 N2 O5
Calculated formula	C42 H38 N2 O5
SMILES	O1c2c(C3c4c(OC(=O)C=3C1=O)cc(N(CC)CC)cc4)ccc(c2)c1ccc(N(c2ccccc2)c2ccccc2)cc1.O1CCCC1
Title of publication	AIEE-active V-shaped fused-biscoumarins: synthesis, photophysical and electroluminescence properties
Authors of publication	Li, Debao; Li, Peiying; Zhao, Yuling; Su, Ruige; Guo, Yongchun; Su, Wenming; Yu, Tianzhi
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	48
Pages of publication	23213 - 23224
a	18.2337 ± 0.0019 Å
b	11.3595 ± 0.0008 Å
c	32.423 ± 0.002 Å
α	90°
β	100.879 ± 0.009°
γ	90°
Cell volume	6594.9 ± 0.9 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0958
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.1874
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
280208 (current)	2023-01-06	cif/ Updating files of 7062095, 7062096 Original log message: Adding full bibliography for 7062095--7062096.cif.	7062096.cif
279575	2022-11-26	cif/ Adding structures of 7062095, 7062096 via cif-deposit CGI script.	7062096.cif