Crystallography Open Database

Information card for entry 4032012

4032011 << 4032012 >> 4032013

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Coordinates	4032012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 N O2
Calculated formula	C13 H15 N O2
SMILES	OC1(c2ccccc2NC1=O)CC=C(C)C
Title of publication	Zinc-Mediated C-3 α-Prenylation of Isatins with Prenyl Bromide: Access to 3-Prenyl-3-hydroxy-2-oxindoles and Its Application.
Authors of publication	Zhao, Li-Ming; Zhang, Ai-Li; Zhang, Jie-Huan; Gao, Hua-Shuai; Zhou, Wei
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	13
Pages of publication	5487 - 5494
a	10.1491 ± 0.001 Å
b	11.4621 ± 0.0011 Å
c	10.7009 ± 0.001 Å
α	90°
β	96.569 ± 0.001°
γ	90°
Cell volume	1236.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0618
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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