Crystallography Open Database

Information card for entry 1548296

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Coordinates	1548296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 B2 O4
Calculated formula	C12 H24 B2 O4
Title of publication	Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent
Authors of publication	Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita
Journal of publication	Nature Communications
Year of publication	2014
Journal volume	5
Pages of publication	4245
a	10.165 ± 0.006 Å
b	7.482 ± 0.004 Å
c	10.278 ± 0.006 Å
α	90°
β	110.446 ± 0.009°
γ	90°
Cell volume	732.4 ± 0.7 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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