Crystallography Open Database

Information card for entry 1506137

Preview

Structure parameters

Formula	C25 H23 N3 O5
Calculated formula	C25 H23 N3 O5
SMILES	O=C(Nc1cccc2c1nccc2)[C@@H](N1C(=O)c2ccccc2C1=O)[C@@H](OC(=O)C)C(C)C
Title of publication	Novel acetoxylation and C-C coupling reactions at unactivated positions in alpha-amino acid derivatives.
Authors of publication	Reddy, B. V. Subba; Reddy, Leleti Rajender; Corey, E. J.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	15
Pages of publication	3391 - 3394
a	30.159 ± 0.005 Å
b	8.8874 ± 0.0014 Å
c	20.568 ± 0.003 Å
α	90°
β	124.276 ± 0.003°
γ	90°
Cell volume	4555.5 ± 1.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.109
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	0.824
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1506137.cif
176729	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.	1506137.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506137.cif
48028	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506137 via cif-deposit CGI script.	1506137.cif