Crystallography Open Database

Information card for entry 7126534

Preview

Coordinates	7126534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 N2 O5
Calculated formula	C27 H28 N2 O5
Title of publication	Additive- and column-free synthesis of rigid bis-coumarins as fluorescent dyes for G-quadruplex sensing via disaggregation-induced emission.
Authors of publication	He, Hui-Zi; Li, Kun; Yu, Kang-Kang; Lu, Pei-Long; Feng, Mei-Lin; Chen, Shan-Yong; Yu, Xiao-Qi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	50
Pages of publication	6870 - 6873
a	5.1905 ± 0.0005 Å
b	9.3677 ± 0.0007 Å
c	23.713 ± 0.003 Å
α	90°
β	94.729 ± 0.012°
γ	90°
Cell volume	1149.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1006
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.1644
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
253800 (current)	2020-07-06	cif/ Updating files of 7126534 Original log message: Adding full bibliography for 7126534.cif.	7126534.cif
252034	2020-05-14	cif/ Adding structures of 7126534 via cif-deposit CGI script.	7126534.cif