Crystallography Open Database

Information card for entry 7247104

Preview

Coordinates	7247104.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CTC-1OH
Formula	C40 H39 N2 O18.5
Calculated formula	C40 H39 N2 O18.5
Title of publication	The cooperation of charge transfer and electron transfer for manipulating photothermal behaviour of donor–acceptor co-crystals
Authors of publication	Pan, Jia-Qi; Chen, Yun-Rui; Jia, Meng-Ze; Yao, Xin-Rong; Miao, Xiao-Li; Zhang, Jie
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	35
Pages of publication	4968 - 4975
a	8.2694 ± 0.0006 Å
b	8.7155 ± 0.0007 Å
c	26.765 ± 0.002 Å
α	87.121 ± 0.006°
β	85.505 ± 0.006°
γ	80.356 ± 0.007°
Cell volume	1894.5 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0952
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
286741 (current)	2023-10-06	cif/ Updating files of 7247104, 7247105 Original log message: Adding full bibliography for 7247104--7247105.cif.	7247104.cif
285358	2023-07-27	cif/ Adding structures of 7247104, 7247105 via cif-deposit CGI script.	7247104.cif