Crystallography Open Database

Information card for entry 4115182

Preview

Coordinates	4115182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 I O4 P
Calculated formula	C28 H22 I O4 P
Title of publication	Preparation, Structure, and Unexpected Chemistry of Phosphoranyl-Derived Benziodoxoles
Authors of publication	Viktor V. Zhdankin; Olena Maydanovych; Jon Herschbach; Robert McDonald; Rik R. Tykwinski
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	11614 - 11615
a	24.6924 ± 0.0019 Å
b	9.6945 ± 0.0007 Å
c	20.2514 ± 0.0016 Å
α	90°
β	101.676 ± 0.0015°
γ	90°
Cell volume	4747.5 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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