Crystallography Open Database

Information card for entry 7121520

Preview

Coordinates	7121520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 B2 N2
Calculated formula	C36 H40 B2 N2
Title of publication	Dimerization of boryl- and amino-substituted acetylenes by B<sub>2</sub>C<sub>2</sub> four-membered ring formation.
Authors of publication	Kitamura, Ryo; Suzuki, Katsunori; Yamashita, Makoto
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	46
Pages of publication	5819 - 5822
a	9.3775 ± 0.0015 Å
b	9.7968 ± 0.0014 Å
c	10.2151 ± 0.0019 Å
α	62.343 ± 0.008°
β	79.192 ± 0.012°
γ	65.439 ± 0.01°
Cell volume	756 ± 0.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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