Crystallography Open Database

Information card for entry 4109749

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Coordinates	4109749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H60 B Br2 Li Mg N2 O3
Calculated formula	C38 H60 B Br2 Li Mg N2 O3
Title of publication	Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane
Authors of publication	Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	9570 - 9571
a	26.5116 ± 0.0015 Å
b	10.9036 ± 0.0009 Å
c	28.9821 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	8377.9 ± 1 Å³
Cell temperature	103.15 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	8
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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