Crystallography Open Database

Information card for entry 4033368

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Structure parameters

Formula	C18 H17 N O2
Calculated formula	C18 H17 N O2
SMILES	O1C(=C(c2ccccc2)c2ccccc2)C(=N\O)\CCC1
Title of publication	Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.
Authors of publication	Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	3
Pages of publication	1614 - 1626
a	10.726 ± 0.0002 Å
b	17.103 ± 0.0003 Å
c	17.9943 ± 0.0003 Å
α	69.762 ± 0.005°
β	72.864 ± 0.005°
γ	75.943 ± 0.005°
Cell volume	2922.91 ± 0.15 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.0702
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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