Crystallography Open Database

Information card for entry 4025211

Preview

Coordinates	4025211.cif
Original paper (by DOI)	HTML
External links	PubChem

Structure parameters

Common name	dm-15f
Chemical name	2-oxabiciclo[3,2,0]heptano
Formula	C10 H15 N O4
Calculated formula	C10 H15 N O4
SMILES	N(C(=O)C)[C@]1(C(=O)OC)[C@H]2OCC[C@H]2C1.N(C(=O)C)[C@@]1(C(=O)OC)[C@@H]2OCC[C@@H]2C1
Title of publication	Cyclobutane Amino Acid Analogues of Furanomycin Obtained by a Formal [2 + 2] Cycloaddition Strategy Promoted by Methylaluminoxane
Authors of publication	Alberto Avenoza; Jesús H. Busto; Noelia Canal; Francisco Corzana; Jesús M. Peregrina; Marta Pérez-Fernández; Fernando Rodríguez
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	545 - 552
a	11.828 ± 0.0005 Å
b	8.994 ± 0.0003 Å
c	10.1781 ± 0.0003 Å
α	90°
β	105.906 ± 0.0015°
γ	90°
Cell volume	1041.3 ± 0.06 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1508
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
301812 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure.	4025211.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4025211.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4025211.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4025211.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4025211.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4025211.cif
10984	2011-02-14	../uploads/cif-deposit/cod/cif Adding structures of 4025211 via cif-deposit CGI script.	4025211.cif