Crystallography Open Database

Information card for entry 1506138

Preview

Coordinates	1506138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H33 N3 O4
Calculated formula	C36 H33 N3 O4
SMILES	O=C1N(C(=O)c2c1cccc2)[C@@H](C(=O)Nc1cccc2cccnc12)[C@@H](C(C)C)c1ccc(OC)cc1.c1ccccc1.O=C1N(C(=O)c2c1cccc2)[C@H](C(=O)Nc1cccc2cccnc12)[C@H](C(C)C)c1ccc(OC)cc1.c1ccccc1
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	11.1824 ± 0.0018 Å
b	11.3032 ± 0.0018 Å
c	12.902 ± 0.002 Å
α	105.247 ± 0.004°
β	107.724 ± 0.004°
γ	93.027 ± 0.004°
Cell volume	1482.9 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1157
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	1506138.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506138.cif
48029	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506138 via cif-deposit CGI script.	1506138.cif