Crystallography Open Database

Information card for entry 2006455

2006454 << 2006455 >> 2006456

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Structure parameters

Chemical name	4-iodobenzaldehyde
Formula	C7 H5 I O
Calculated formula	C7 H5 I O
SMILES	Ic1ccc(cc1)C=O
Title of publication	<i>p</i>-Iodobenzaldehyde
Authors of publication	Britton, Doyle; Young Jr, Victor G.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	9
Pages of publication	1359 - 1362
a	6.9122 ± 0.0006 Å
b	13.1517 ± 0.0011 Å
c	7.8098 ± 0.0007 Å
α	90°
β	93.324 ± 0.001°
γ	90°
Cell volume	708.77 ± 0.11 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.025
Weighted residual factors for all reflections	0.0672
Weighted residual factors for significantly intense reflections	0.0671
Goodness-of-fit parameter for all reflections	1.09
Goodness-of-fit parameter for significantly intense reflections	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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