Crystallography Open Database

Information card for entry 7242411

Preview

Coordinates	7242411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.36 H1.64 N0.36 O0.55
Calculated formula	C2.36364 H1.63636 N0.363636 O0.545455
Title of publication	Intense red emissive organic crystals with elastic bending ability and optical waveguiding behaviour
Authors of publication	Cao, Lifu; Tang, Baolei; Yu, Xu; Ye, Kaiqi; Zhang, Hongyu
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	34
Pages of publication	5758 - 5762
a	26.331 ± 0.003 Å
b	7.176 ± 0.0007 Å
c	13.4905 ± 0.0014 Å
α	90°
β	119.392 ± 0.006°
γ	90°
Cell volume	2220.9 ± 0.4 Å³
Cell temperature	151 K
Ambient diffraction temperature	151 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	0.0367
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
268678 (current)	2021-09-06	cif/ Updating files of 7242411, 7242412 Original log message: Adding full bibliography for 7242411--7242412.cif.	7242411.cif
263052	2021-03-16	cif/ Adding structures of 7242411, 7242412 via cif-deposit CGI script.	7242411.cif