Crystallography Open Database

Information card for entry 4076737

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Structure parameters

Formula	C20 H32 B2 O4
Calculated formula	C20 H32 B2 O4
SMILES	B1(OC(C(O1)(C)C)(C)C)C(B1OC(C(O1)(C)C)(C)C)(C)c1ccccc1
Title of publication	Novel C1-Bridged Bisboronate Derivatives by Insertion of Diazoalkanes into Bis(pinacolato)diborane(4)⊥
Authors of publication	Abu Ali, Hijazi; Goldberg, Israel; Kaufmann, Dieter; Burmeister, Christian; Srebnik, Morris
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	9
Pages of publication	1870
a	13.051 ± 0.0002 Å
b	14.522 ± 0.0002 Å
c	12.411 ± 0.0002 Å
α	90°
β	117.245 ± 0.0006°
γ	90°
Cell volume	2091.25 ± 0.06 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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