Crystallography Open Database

Information card for entry 1573008

Preview

Coordinates	1573008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H70 Cl2 N4
Calculated formula	C109 H70 Cl2 N4
Title of publication	Enhanced chiroptical activity for narrow deep-blue emission in axial chiral frameworks <i>via</i> three-dimensional interlocking.
Authors of publication	Mo, Xuechao; Chen, Guohao; Li, Yulan; Xiao, Biao; Chen, Xuefeng; Yin, Xiaojun; Yang, Chuluo
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	42
Pages of publication	17663 - 17670
a	25.6752 ± 0.0014 Å
b	7.7929 ± 0.0004 Å
c	22.2195 ± 0.0018 Å
α	90°
β	123.416 ± 0.002°
γ	90°
Cell volume	3710.9 ± 0.4 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1573008.html