Crystallography Open Database

Information card for entry 7058412

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Coordinates	7058412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 Fe N3 O5
Calculated formula	C19 H23 Fe N3 O5
Title of publication	Syntheses and NMR and XRD studies of carbohydrate‒ferrocene conjugates
Authors of publication	Peigneguy, Fanny; Allain, Magali; Cougnon, Charles; Frère, Pierre; Siegler, Benjamin; Bressy, Christine; Gohier, Frédéric
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	24
Pages of publication	9706
a	48.634 ± 0.006 Å
b	5.7205 ± 0.0003 Å
c	13.3273 ± 0.0009 Å
α	90°
β	95.447 ± 0.008°
γ	90°
Cell volume	3691.1 ± 0.6 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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