Crystallography Open Database

Information card for entry 1554350

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Structure parameters

Formula	C34 H33 N O3
Calculated formula	C34 H33 N O3
Title of publication	Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect
Authors of publication	Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin
Journal of publication	Organic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	15
Pages of publication	2296
a	9.4355 ± 0.0005 Å
b	10.2231 ± 0.0006 Å
c	17.9161 ± 0.0011 Å
α	87.132 ± 0.005°
β	84.213 ± 0.005°
γ	68.822 ± 0.005°
Cell volume	1603.09 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 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	0.1162
Residual factor for significantly intense reflections	0.0845
Weighted residual factors for significantly intense reflections	0.2197
Weighted residual factors for all reflections included in the refinement	0.2349
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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