Crystallography Open Database

Information card for entry 7061845

Preview

Coordinates	7061845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H21 B10 N3 S
Calculated formula	C11 H21 B10 N3 S
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	7.059 ± 0.0008 Å
b	10.7334 ± 0.0012 Å
c	12.9369 ± 0.0014 Å
α	110.989 ± 0.005°
β	95.275 ± 0.006°
γ	92.201 ± 0.006°
Cell volume	908.59 ± 0.18 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.0042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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