Crystallography Open Database

Information card for entry 4030366

Preview

Coordinates	4030366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H34 N2 O4
Calculated formula	C23 H34 N2 O4
Title of publication	Stereoselective Formation of Quaternary Stereogenic Centers via Alkylation of α-Substituted Malonate-Imidazolidinones.
Authors of publication	Bixa, Thobela; Hunter, Roger; Andrijevic, Ana; Petersen, Wade; Su, Hong; Dhoro, Francis
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	2
Pages of publication	762 - 769
a	7.9977 ± 0.0016 Å
b	9.4736 ± 0.0018 Å
c	15.462 ± 0.003 Å
α	90°
β	101.002 ± 0.004°
γ	90°
Cell volume	1150 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0535
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178482 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/03.	4030366.cif
130688	2015-02-04	cif/ Updating files of 4030365, 4030366 Original log message: Adding full bibliography for 4030365--4030366.cif.	4030366.cif
128954	2014-12-21	cif/ Adding structures of 4030366 via cif-deposit CGI script.	4030366.cif