Crystallography Open Database

Information card for entry 7121390

Preview

Coordinates	7121390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 N4 O3 Pd S
Calculated formula	C38 H42 N4 O3 Pd S
Title of publication	Synthesis of indolines via a palladium/norbornene-catalyzed reaction of aziridines with aryl iodides.
Authors of publication	Liu, Ce; Liang, Yujie; Zheng, Nian; Zhang, Bo-Sheng; Feng, Yuan; Bi, Siwei; Liang, Yong-Min
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	27
Pages of publication	3407 - 3410
a	10.2072 ± 0.0005 Å
b	13.9301 ± 0.001 Å
c	15.1016 ± 0.0013 Å
α	66.531 ± 0.008°
β	75.76 ± 0.006°
γ	88.492 ± 0.005°
Cell volume	1902.9 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.0414
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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