Crystallography Open Database

Information card for entry 4076739

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Structure parameters

Formula	C21 H34 B2 O5
Calculated formula	C21 H34 B2 O5
SMILES	B1(OC(C(O1)(C)C)(C)C)C(B1OC(C(O1)(C)C)(C)C)(C)c1ccccc1OC
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	9.198 ± 0.0002 Å
b	9.415 ± 0.0002 Å
c	13.59 ± 0.0004 Å
α	90°
β	106.379 ± 0.001°
γ	90°
Cell volume	1129.12 ± 0.05 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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