Crystallography Open Database

Information card for entry 7156850

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Coordinates	7156850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 F I O P
Calculated formula	C22 H19 F I O P
Title of publication	Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.
Authors of publication	Anitha, Mandala; Kumara Swamy, K. C.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	23
Pages of publication	5736 - 5748
a	9.6921 ± 0.0013 Å
b	9.8549 ± 0.0012 Å
c	11.1815 ± 0.0015 Å
α	90°
β	107.996 ± 0.004°
γ	90°
Cell volume	1015.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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