Crystallography Open Database

Information card for entry 7158002

Preview

Coordinates	7158002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24 N2 O4 S2
Calculated formula	C29 H24 N2 O4 S2
SMILES	c1c(c2ccccc2n1S(=O)(=O)c1ccc(cc1)C)CC(=O)N=S(c1ccccc1)(c1ccccc1)=O
Title of publication	One-pot multi-step cascade protocols toward β-indolyl sulfoximidoyl amides <i>via</i> intermolecular trapping of an α-indolylpalladium complex by CO.
Authors of publication	Liu, Huahua; Wei, Li; Chen, Zhiyuan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	15
Pages of publication	3359 - 3369
a	9.847 ± 0.0006 Å
b	17.2006 ± 0.0014 Å
c	16.0137 ± 0.0009 Å
α	90°
β	106.046 ± 0.006°
γ	90°
Cell volume	2606.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0484
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
264957 (current)	2021-05-05	cif/ Updating files of 7158002 Original log message: Adding full bibliography for 7158002.cif.	7158002.cif
263508	2021-04-01	cif/ Adding structures of 7158002 via cif-deposit CGI script.	7158002.cif