Crystallography Open Database

Information card for entry 7153641

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Structure parameters

Formula	C15 H25 B O4 Si
Calculated formula	C15 H25 B O4 Si
SMILES	[Si](OCC1(COB(OC1)c1ccc(OC)cc1)C)(C)(C)C
Title of publication	Silyl-protected dioxaborinanes: application in the Suzuki cross-coupling reaction.
Authors of publication	Goggins, Sean; Rosevere, Eleanor; Bellini, Clément; Allen, Joseph C.; Marsh, Barrie J.; Mahon, Mary F.; Frost, Christopher G.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	1
Pages of publication	47 - 52
a	12.5 ± 0.0004 Å
b	12.661 ± 0.0003 Å
c	22.056 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3490.64 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.1504
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1581
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7153641.cif
180322	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/36.	7153641.cif
105751	2014-03-12	cif/ Adding structures of 7153641 via cif-deposit CGI script.	7153641.cif