Crystallography Open Database

Information card for entry 1517867

Preview

Coordinates	1517867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 Cl N O4
Calculated formula	C27 H20 Cl N O4
SMILES	c1(ccc(cc1)[C@@H]1C2=C([C@@](C(=O)OC)(Cc3ccccc3)N1)C(=O)c1c(C2=O)cccc1)Cl
Title of publication	Correction to A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Oxidation.
Authors of publication	He, Zhao-Lin; Liu, Tang-Lin; Tao, Haiyan; Wang, Chun-Jiang
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	20
Pages of publication	5506 - 5507
a	12.7827 ± 0.0008 Å
b	12.7827 ± 0.0008 Å
c	13.7419 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2245.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517867.cif
127237	2014-11-12	cif/ Updating files of 1517867, 1517868 Original log message: Adding full bibliography for 1517867--1517868.cif.	1517867.cif
124453	2014-10-01	cif/ Adding structures of 1517867 via cif-deposit CGI script.	1517867.cif