Crystallography Open Database

Information card for entry 7243744

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Coordinates	7243744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Fe O7
Calculated formula	C15 H14 Fe O7
Title of publication	ItaCORMs: Conjugation with a CO-releasing Unit greatly Enhances the Anti-inflammatory Activity of Itaconates
Authors of publication	Krause, Bernhard Markus; Bauer, Britta; Neudoerfl, Joerg; Wieder, Thomas; Schmalz, Hans Günther
Journal of publication	RSC Medicinal Chemistry
Year of publication	2021
a	11.3484 ± 0.0002 Å
b	7.4781 ± 0.0001 Å
c	36.737 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3117.67 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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