Crystallography Open Database

Information card for entry 1549638

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Structure parameters

Common name	BP210
Formula	C34 H34 O Si
Calculated formula	C34 H34 O Si
SMILES	[Si](OC(C)c1ccc2ccc3cccc4ccc1c2c34)(c1ccc2ccccc2c1)(C(C)C)C(C)C
Title of publication	Size-Dependent Rate Acceleration in the Silylation of Secondary Alcohols: the Bigger the Faster
Authors of publication	Zipse, Hendrik; Marin-Luna, Marta; Poelloth, Benjamin; Zott, Fabian L.
Journal of publication	Chemical Science
Year of publication	2018
a	10.8826 ± 0.0004 Å
b	34.7232 ± 0.0014 Å
c	7.28 ± 0.0003 Å
α	90°
β	104.291 ± 0.002°
γ	90°
Cell volume	2665.83 ± 0.18 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0643
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1549638.cif
208728	2018-06-29	cif/ Adding structures of 1549637, 1549638 via cif-deposit CGI script.	1549638.cif