Crystallography Open Database

Information card for entry 1559192

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Coordinates	1559192.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SP24OMe
Formula	C23 H24 N4 O
Calculated formula	C23 H24 N4 O
Title of publication	Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis
Authors of publication	Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin
Journal of publication	Chemical Science
Year of publication	2020
a	9.4235 ± 0.0003 Å
b	9.4517 ± 0.0003 Å
c	11.8728 ± 0.0004 Å
α	81.662 ± 0.001°
β	82.012 ± 0.001°
γ	79.093 ± 0.001°
Cell volume	1020.62 ± 0.06 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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