Crystallography Open Database

Information card for entry 4506584

Preview

Coordinates	4506584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H39 N O3 Si
Calculated formula	C27 H39 N O3 Si
Title of publication	Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst
Authors of publication	Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.
Journal of publication	ACS Catalysis
Year of publication	2012
Journal volume	2
Journal issue	8
Pages of publication	1661
a	12.6433 ± 0.0004 Å
b	13.8501 ± 0.0004 Å
c	14.684 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2571.33 ± 0.14 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 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	0.0244
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179601 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/65.	4506584.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506584.cif
66238	2012-09-09	cif/ Adding structures of 4506584 via cif-deposit CGI script.	4506584.cif