Crystallography Open Database

Information card for entry 4118628

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Structure parameters

Formula	C42 H46 Br2 I2 N8 O7
Calculated formula	C42 H46 Br2 I2 N8 O7
Title of publication	Indirect C-H Azidation of Heterocycles via Copper-Catalyzed Regioselective Fragmentation of Unsymmetrical λ3-Iodanes
Authors of publication	Dmitrijs Lubriks; Igors Sokolovs; Edgars Suna
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	15436 - 15442
a	7.7822 ± 0.0003 Å
b	12.3633 ± 0.0005 Å
c	12.6194 ± 0.0006 Å
α	92.675 ± 0.002°
β	94.9141 ± 0.0014°
γ	97.142 ± 0.002°
Cell volume	1198.29 ± 0.09 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1376
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1915
Weighted residual factors for all reflections included in the refinement	0.251
Goodness-of-fit parameter for all reflections included in the refinement	1.438
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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