Crystallography Open Database

Information card for entry 1505865

Preview

Coordinates	1505865.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(R,R)-cis-endo-1,3-Di((1-phenylethylamino)carbonyl) bicyclo[1.1.1]pentane-2,4-dicarboxylic acid
Formula	C30 H31 N2 O6
Calculated formula	C30 H31 N2 O6
Title of publication	cis-endo-Bicyclo[1.1.1]pentane-1,2,3,4- tetracarboxylic acid and its derivatives.
Authors of publication	Mazal, Ctibor; Skarka, Ondrej; Kaleta, Jirí; Michl, Josef
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	4
Pages of publication	749 - 752
a	25.89 ± 0.005 Å
b	9.1958 ± 0.0018 Å
c	11.305 ± 0.002 Å
α	90°
β	97.94 ± 0.03°
γ	90°
Cell volume	2665.7 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0925
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0616
Goodness-of-fit parameter for all reflections included in the refinement	0.604
Diffraction radiation wavelength	0.71069 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.	1505865.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505865.cif
47803	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505864, 1505865 via cif-deposit CGI script.	1505865.cif