Crystallography Open Database

Information card for entry 1550165

Preview

Coordinates	1550165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H39 Ir O2 Si
Calculated formula	C25 H39 Ir O2 Si
SMILES	[Ir]1234567([c]8([Si](C)(C)C)[c]91[c]2([C@H]([C@H]1OC(O[C@@H]1[C@@H]9C)(C)C)C)[cH]3[cH]48)[CH]1=[CH]5CC[CH]6=[CH]7CC1
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	7.70304 ± 0.00011 Å
b	11.49824 ± 0.00016 Å
c	26.9058 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2383.08 ± 0.06 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
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	0.0223
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0366
Weighted residual factors for all reflections included in the refinement	0.0374
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
211729 (current)	2018-11-01	cif/ Adding structures of 1550165, 1550166, 1550167, 1550168 via cif-deposit CGI script.	1550165.cif