Crystallography Open Database

Information card for entry 7157807

Preview

Coordinates	7157807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 N O2 S
Calculated formula	C28 H21 N O2 S
SMILES	S(=O)(=O)(n1c2ccccc2c(c1)C1c2ccccc2c2ccccc12)c1ccc(C)cc1
Title of publication	DDQ/FeCl<sub>3</sub>-mediated tandem oxidative carbon-carbon bond formation for the Synthesis of indole-fluorene hybrid molecules.
Authors of publication	Kar, Abhishek; Chakraborty, Baitan; Kundal, Sandip; Rana, Gopal; Jana, Umasish
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	4
Pages of publication	906 - 910
a	9.73 ± 0.002 Å
b	20.98 ± 0.004 Å
c	11.45 ± 0.002 Å
α	90°
β	104.39 ± 0.03°
γ	90°
Cell volume	2264 ± 0.8 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1238
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1701
Goodness-of-fit parameter for all reflections included in the refinement	0.861
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
262714 (current)	2021-03-05	cif/ Updating files of 7157807 Original log message: Adding full bibliography for 7157807.cif.	7157807.cif
260006	2020-12-19	cif/ Adding structures of 7157807 via cif-deposit CGI script.	7157807.cif