Crystallography Open Database

Information card for entry 1568880

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Coordinates	1568880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 N S
Calculated formula	C28 H21 N S
Title of publication	In(OTf)<sub>3</sub>-catalyzed reorganization/cycloaddition of two imine units and subsequent modular assembly of acridinium photocatalysts.
Authors of publication	Nan, Jiang; Huang, Guanjie; Liu, Shilei; Wang, Jing; Ma, Yangmin; Luan, Xinjun
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	19
Pages of publication	5160 - 5166
a	11.0488 ± 0.0006 Å
b	6.4191 ± 0.0003 Å
c	14.6827 ± 0.0007 Å
α	90°
β	99.43 ± 0.002°
γ	90°
Cell volume	1027.27 ± 0.09 Å³
Cell temperature	276 ± 2 K
Ambient diffraction temperature	276 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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