Crystallography Open Database

Information card for entry 7247105

Preview

Coordinates	7247105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 N2 O9
Calculated formula	C28 H24 N2 O9
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	4.7835 ± 0.0005 Å
b	43.651 ± 0.005 Å
c	11.3771 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2375.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1739
Residual factor for significantly intense reflections	0.1661
Weighted residual factors for significantly intense reflections	0.451
Weighted residual factors for all reflections included in the refinement	0.469
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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