Crystallography Open Database

Information card for entry 1550167

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Structure parameters

Formula	C17 H28 O2 Si
Calculated formula	C17 H28 O2 Si
SMILES	[Si]([C@H]1C=CC2=C1[C@H]([C@H]1OC(O[C@@H]1[C@@H]2C)(C)C)C)(C)(C)C
Title of publication	Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis
Authors of publication	Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.
Journal of publication	Chemical Science
Year of publication	2019
a	7.53335 ± 0.00013 Å
b	10.27117 ± 0.00014 Å
c	22.6089 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1749.39 ± 0.04 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0225
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0569
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1550167.cif
211729	2018-11-01	cif/ Adding structures of 1550165, 1550166, 1550167, 1550168 via cif-deposit CGI script.	1550167.cif