Crystallography Open Database

Information card for entry 7062095

7062094 << 7062095 >> 7062096

Preview

Coordinates	7062095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H31 N O4
Calculated formula	C40 H31 N O4
SMILES	O1c2cc(N(CC)CC)ccc2C2=C(C1=O)C(=O)Oc1c2ccc(c1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
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	12.7991 ± 0.0008 Å
b	16.2884 ± 0.0009 Å
c	16.7129 ± 0.0011 Å
α	78.317 ± 0.005°
β	72.954 ± 0.006°
γ	67.296 ± 0.005°
Cell volume	3057.2 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0684
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.151
Weighted residual factors for all reflections included in the refinement	0.1628
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7062095.cif
279575	2022-11-26	cif/ Adding structures of 7062095, 7062096 via cif-deposit CGI script.	7062095.cif