Crystallography Open Database

Information card for entry 7157728

Preview

Coordinates	7157728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N3 O2
Calculated formula	C24 H21 N3 O2
SMILES	O(/N=C(/c1c2c(n(c1)c1ccccc1)cccc2NC(=O)c1ccccc1)C)C
Title of publication	Rhodium(III)-catalyzed C4-amidation of indole-oximes with dioxazolones <i>via</i> C-H activation.
Authors of publication	Tang, Shi-Biao; Fu, Xiao-Pan; Wu, Gao-Rong; Zhang, Li-Li; Deng, Ke-Zuan; Yang, Jin-Yue; Xia, Cheng-Cai; Ji, Ya-Fei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	39
Pages of publication	7922 - 7931
a	9.5144 ± 0.0005 Å
b	13.3582 ± 0.0007 Å
c	16.0144 ± 0.001 Å
α	90°
β	102.194 ± 0.002°
γ	90°
Cell volume	1989.43 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
258957 (current)	2020-11-06	cif/ Updating files of 7157728 Original log message: Adding full bibliography for 7157728.cif.	7157728.cif
256917	2020-10-02	cif/ Adding structures of 7157728 via cif-deposit CGI script.	7157728.cif