Crystallography Open Database

Information card for entry 1504686

Preview

Coordinates	1504686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 N2 O7
Calculated formula	C18 H28 N2 O7
SMILES	O(C(=O)N[C@H]([C@@H](O)[C@H](N(=O)=O)C(OC)OC)Cc1ccccc1)C(C)(C)C
Title of publication	Stereodivergent catalytic doubly diastereoselective nitroaldol reactions using heterobimetallic complexes.
Authors of publication	Sohtome, Yoshihiro; Kato, Yuko; Handa, Shinya; Aoyama, Naohiro; Nagawa, Keita; Matsunaga, Shigeki; Shibasaki, Masakatsu
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	11
Pages of publication	2231 - 2234
a	9.5369 ± 0.0003 Å
b	10.9797 ± 0.0004 Å
c	19.7388 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2066.9 ± 0.12 Å³
Cell temperature	93.1 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 significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.1913
Goodness-of-fit parameter for all reflections included in the refinement	0.521
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504686.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504686.cif
42287	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504686 via cif-deposit CGI script.	1504686.cif