Crystallography Open Database

Information card for entry 4026043

Preview

Coordinates	4026043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N2 O4
Calculated formula	C20 H18 N2 O4
Title of publication	Diastereoselective Synthesis of Diketopiperazine Bis-α,β-epoxides
Authors of publication	Shin Ando; Amy L. Grote; Kazunori Koide
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	1155 - 1158
a	14.326 ± 0.004 Å
b	15.14 ± 0.004 Å
c	24.246 ± 0.006 Å
α	90°
β	91.927 ± 0.005°
γ	90°
Cell volume	5256 ± 2 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
178439 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/60.	4026043.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4026043.cif
37453	2012-03-02	../uploads/cif-deposit/cod/cif Adding structures of 4026043 via cif-deposit CGI script.	4026043.cif