Crystallography Open Database

Information card for entry 1504509

Preview

Coordinates	1504509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H34 N O2 P
Calculated formula	C31 H34 N O2 P
SMILES	P(=O)(N([C@@H](c1ccccc1)[C@H](O)C(C)(C)C)Cc1ccccc1)(c1ccccc1)c1ccccc1.P(=O)(N([C@H](c1ccccc1)[C@@H](O)C(C)(C)C)Cc1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Phosphinamide-directed benzylic lithiation. Application to the synthesis of peptide building blocks.
Authors of publication	Burgos, Pascual Oña; Fernández, Ignacio; Iglesias, María José; García-Granda, Santiago; Ortiz, Fernando López
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	4
Pages of publication	537 - 540
a	10.948 ± 0.0014 Å
b	13.435 ± 0.0018 Å
c	18.893 ± 0.003 Å
α	90°
β	103.357 ± 0.015°
γ	90°
Cell volume	2703.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.207
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1441
Weighted residual factors for all reflections included in the refinement	0.1957
Goodness-of-fit parameter for all reflections included in the refinement	0.804
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.	1504509.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504509.cif
42125	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504509 via cif-deposit CGI script.	1504509.cif