Crystallography Open Database

Information card for entry 7061846

Preview

Coordinates	7061846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H23 B10 N O5
Calculated formula	C10 H23 B10 N O5
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	7.4064 ± 0.0001 Å
b	11.1792 ± 0.0002 Å
c	12.0917 ± 0.0002 Å
α	62.736 ± 0.001°
β	85.701 ± 0.001°
γ	86.13 ± 0.001°
Cell volume	886.82 ± 0.03 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0214
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.0496
Goodness-of-fit parameter for all reflections included in the refinement	1.1211
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7061846.html