Crystallography Open Database

Information card for entry 4036875

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Coordinates	4036875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26 N2 O3
Calculated formula	C29 H26 N2 O3
Title of publication	Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.
Authors of publication	Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	19
Pages of publication	8722 - 8735
a	11.6225 ± 0.0003 Å
b	13.6984 ± 0.0003 Å
c	15.3427 ± 0.0004 Å
α	90°
β	102.966 ± 0.007°
γ	90°
Cell volume	2380.43 ± 0.12 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.0846
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1581
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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