Crystallography Open Database

Information card for entry 7157903

Preview

Coordinates	7157903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H7 I O3
Calculated formula	C9 H6 I O3
Title of publication	N-Alkenylation of hydroxamic acid derivatives with ethynyl benziodoxolone to synthesize cis-enamides through vinyl benziodoxolones.
Authors of publication	Shimbo, Daisuke; Maruyama, Toshifumi; Tada, Norihiro; Itoh, Akichika
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	11
Pages of publication	2442 - 2447
a	12.4119 ± 0.0004 Å
b	4.1382 ± 0.0001 Å
c	18.5166 ± 0.0006 Å
α	90°
β	94.868 ± 0.003°
γ	90°
Cell volume	947.64 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.0508
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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