Crystallography Open Database

Information card for entry 1547882

Preview

Coordinates	1547882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 N O4
Calculated formula	C22 H23 N O4
SMILES	c1ccccc1C(=C1\CN(C(=O)OC(C)(C)C)c2ccccc12)\C(=O)OC
Title of publication	Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.
Authors of publication	Liu, Kai; Xu, Guangyang; Sun, Jiangtao
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	3
Pages of publication	634 - 639
a	8.7005 ± 0.0008 Å
b	10.2416 ± 0.001 Å
c	11.4433 ± 0.0009 Å
α	76.304 ± 0.003°
β	83.414 ± 0.003°
γ	75.816 ± 0.003°
Cell volume	958.74 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0785
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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