Crystallography Open Database

Information card for entry 7133966

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Coordinates	7133966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 Br N2 O2 S
Calculated formula	C19 H19 Br N2 O2 S
Title of publication	Palladium catalyzed C(sp3)-H alkylation of 8-methylquinolines with aziridines: access to functionalized γ-quinolinylpropylamines
Authors of publication	Sahoo, Anita; Paul, Tripti; Basak, Shubhajit; Punniyamurthy, Tharmalingam
Journal of publication	Chemical Communications
Year of publication	2024
a	9.7614 ± 0.0011 Å
b	25.463 ± 0.003 Å
c	7.4877 ± 0.0009 Å
α	90°
β	105.531 ± 0.004°
γ	90°
Cell volume	1793.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0471
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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