Crystallography Open Database: Information card for 1100464

Structure parameters

Formula	C10 H12 I N3
Calculated formula	C10 H12 I N3
Title of publication	Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes
Authors of publication	Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph
Journal of publication	Journal of the American Chemical Society
Year of publication	1996
Journal volume	118
Pages of publication	4925 - 4930
a	26.993 ± 0.004 Å
b	5.599 ± 0.001 Å
c	15.917 ± 0.002 Å
α	90°
β	105.44 ± 0.01°
γ	90°
Cell volume	2318.78 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Hermann-Mauguin symmetry space group	C 1 2/c 1
Hall symmetry space group	-C 2yc
Residual factor for all reflections	0.0302
Residual factor for observed reflections	0.0193
Weighted residual factors for all reflections	0.0522
Weighted residual factors for the observed reflections	0.0485
Goodness-of-fit parameter for all reflections	1.06
Goodness-of-fit parameter for observed reflections	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database