Crystallography Open Database

Information card for entry 4030124

Preview

Coordinates	4030124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 N2 O5
Calculated formula	C22 H28 N2 O5
SMILES	O1C(=O)[C@H](C[C@H]1C(=O)NC(C)(C)C)c1n(c2c(c1)cccc2)C(=O)OC(C)(C)C
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	9.3395 ± 0.0019 Å
b	9.881 ± 0.002 Å
c	11.877 ± 0.002 Å
α	90°
β	101.85 ± 0.03°
γ	90°
Cell volume	1072.7 ± 0.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.1065
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1916
Weighted residual factors for all reflections included in the refinement	0.216
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
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.	4030124.cif
131374	2015-02-07	cif/ Updating files of 4030123, 4030124, 4030125 Original log message: Adding full bibliography for 4030123--4030125.cif.	4030124.cif
126212	2014-11-04	cif/ Adding structures of 4030124 via cif-deposit CGI script.	4030124.cif