Crystallography Open Database

Information card for entry 1575842

Preview

Coordinates	1575842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 N2 S
Calculated formula	C22 H16 N2 S
Title of publication	Rh(III)-catalyzed oxidative C-H cross-coupling between indoles and thiophenes/furanes.
Authors of publication	Wang, Yuhao; Li, Li; Zhao, Quansheng; Gao, Pengming; Guo, Kaiyue; Zhang, Jitan; Wu, Jiaping
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	88
Pages of publication	17213 - 17216
a	10.2433 ± 0.0006 Å
b	11.4047 ± 0.0007 Å
c	16.4484 ± 0.0009 Å
α	89.432 ± 0.002°
β	81.031 ± 0.002°
γ	69.392 ± 0.002°
Cell volume	1774.48 ± 0.18 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300.01 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	0.0742
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1553
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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