Crystallography Open Database

Information card for entry 4031961

4031960 << 4031961 >> 4031962

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Coordinates	4031961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 N O
Calculated formula	C15 H19 N O
SMILES	O=N1=C(c2ccccc2)C(CC1C(=C)C)(C)C
Title of publication	Synthesis of Isoxazoline/Cyclic Nitrone-Featured Methylenes Using Unsaturated Ketoximes: A Dual Role of TEMPO.
Authors of publication	Chen, Fei; Yang, Xiu-Long; Wu, Zhi-Wei; Han, Bing
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	7
Pages of publication	3042 - 3050
a	9.9162 ± 0.001 Å
b	12.1827 ± 0.0009 Å
c	11.4435 ± 0.0012 Å
α	90°
β	106.801 ± 0.012°
γ	90°
Cell volume	1323.4 ± 0.2 Å³
Cell temperature	293.66 ± 0.1 K
Ambient diffraction temperature	293.66 ± 0.1 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	0.0722
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.12
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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