Crystallography Open Database

Information card for entry 7131472

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Coordinates	7131472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 I N3 O4
Calculated formula	C20 H22 I N3 O4
Title of publication	Chiral carbonyl hypoiodites.
Authors of publication	Mattila, Milla; Rissanen, Kari; Ward, Jas S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	31
Pages of publication	4648 - 4651
a	11.0497 ± 0.0006 Å
b	10.5607 ± 0.0008 Å
c	18.3987 ± 0.0013 Å
α	90°
β	106.167 ± 0.004°
γ	90°
Cell volume	2062.1 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1061
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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