Crystallography Open Database

Information card for entry 4030123

Preview

Coordinates	4030123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 N O4
Calculated formula	C17 H19 N O4
Title of publication	Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.
Authors of publication	Bos, Maxence; Riguet, Emmanuel
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	22
Pages of publication	10881 - 10889
a	9.0976 ± 0.0018 Å
b	9.3489 ± 0.0019 Å
c	18.199 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1547.9 ± 0.6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0369
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
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
178480 (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 4/03/01.	4030123.cif
131374	2015-02-07	cif/ Updating files of 4030123, 4030124, 4030125 Original log message: Adding full bibliography for 4030123--4030125.cif.	4030123.cif
126211	2014-11-04	cif/ Adding structures of 4030123 via cif-deposit CGI script.	4030123.cif