Crystallography Open Database

Information card for entry 7159733

Preview

Coordinates	7159733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H17 N3 O2
Calculated formula	C24 H17 N3 O2
SMILES	O=C(c1ccccc1)c1c2n(c3c(c2c(OC)cc1)cccc3)c1ncccn1
Title of publication	Substituent-controlled regioselective arylation of carbazoles using dual catalysis.
Authors of publication	Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	4
Pages of publication	753 - 758
a	12.7425 ± 0.001 Å
b	13.5862 ± 0.0011 Å
c	10.3411 ± 0.0007 Å
α	90°
β	97.302 ± 0.002°
γ	90°
Cell volume	1775.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0548
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
289626 (current)	2024-02-04	cif/ Updating files of 7159731, 7159732, 7159733, 7159734 Original log message: Adding full bibliography for 7159731--7159734.cif.	7159733.cif
288460	2023-12-21	cif/ Adding structures of 7159731, 7159732, 7159733, 7159734 via cif-deposit CGI script.	7159733.cif