Crystallography Open Database

Information card for entry 7061844

Preview

Coordinates	7061844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H17 B10 I N2
Calculated formula	C8 H17 B10 I N2
Title of publication	Employment of Michael addition reactions for the functionalization of carboranes
Authors of publication	Rys, Evgeny G.; Alpatova, Victoria M.; Kononova, Elena G.; Smol’yakov, Alexander F.; Moiseev, Sergey K.; Ol'shevskaya, Valentina A.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	37
Pages of publication	18025 - 18032
a	7.2029 ± 0.0003 Å
b	12.1616 ± 0.0005 Å
c	18.3542 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1607.81 ± 0.11 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0185
Residual factor for significantly intense reflections	0.0154
Weighted residual factors for significantly intense reflections	0.0244
Weighted residual factors for all reflections included in the refinement	0.0246
Goodness-of-fit parameter for all reflections included in the refinement	1.0278
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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