Crystallography Open Database

Information card for entry 1502347

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Structure parameters

Formula	C18 H31 Br O Si
Calculated formula	C18 H31 Br O Si
SMILES	Brc1ccccc1O[Si](C(C)(C)C)(C(C)(C)C)CC(C)C
Title of publication	Di-tert-butylisobutylsilyl, another useful protecting group.
Authors of publication	Liang, Huan; Hu, Lin; Corey, E. J.
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	15
Pages of publication	4120 - 4123
a	7.9868 ± 0.0014 Å
b	16.291 ± 0.003 Å
c	15.104 ± 0.003 Å
α	90°
β	100.77 ± 0.002°
γ	90°
Cell volume	1930.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0355
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1502347.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502347.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502347.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502347.cif
35647	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502347 via cif-deposit CGI script.	1502347.cif