Crystallography Open Database

Information card for entry 2012769

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Structure parameters

Common name	a precursor of a β-lactamase inhibitor
Chemical name	allyl (4S,8S,9R)-10-[(E)-ethylidene]-4-methoxy-11-oxo-1- azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate
Formula	C17 H21 N O4
Calculated formula	C17 H21 N O4
Title of publication	Precursor of a β-lactamase inhibitor: allyl (4<i>S</i>,8<i>S</i>,9<i>R</i>)-10-[(<i>E</i>)-ethylidene]-4-methoxy-11-oxo-1-azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate
Authors of publication	Leban, Ivan; Selič, Lovro; Mesar, Tomaž; Čopar, Anton; Šolmajer, Tom
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	6
Pages of publication	o367 - o369
a	7.681 ± 0.0002 Å
b	14.461 ± 0.0003 Å
c	14.619 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1623.8 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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