Crystallography Open Database

Information card for entry 4111184

Preview

Coordinates	4111184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H35 N O3
Calculated formula	C30 H35 N O3
SMILES	CC1(OC([C@@H](N1C(=O)C[C@](O)(c1ccccc1)Cc1ccccc1)Cc1ccccc1)(C)C)C
Title of publication	Synthesis of Tertiary β-Hydroxy Amides by Enolate Additions to Acylsilanes
Authors of publication	Robert B. Lettan; Troy E. Reynolds; Chris V. Galliford; Karl A. Scheidt
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	15566 - 15567
a	11.3593 ± 0.0011 Å
b	9.6066 ± 0.0009 Å
c	12.1731 ± 0.0012 Å
α	90°
β	109.728 ± 0.002°
γ	90°
Cell volume	1250.4 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
178882 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/11.	4111184.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111184.cif
60709	2012-06-18	cif/ Adding structures of 4111184 via cif-deposit CGI script.	4111184.cif