Crystallography Open Database

Information card for entry 7707768

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Coordinates	7707768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 Fe N O3
Calculated formula	C16 H19 Fe N O3
Title of publication	The origin of supramolecular chirality in 1-ferrocenyl amino acids.
Authors of publication	Zong, Zhaohui; Zhang, Heng; Hao, Aiyou; Xing, Pengyao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	28
Pages of publication	9695 - 9699
a	7.1314 ± 0.0003 Å
b	10.4452 ± 0.0004 Å
c	10.013 ± 0.0005 Å
α	90°
β	105.488 ± 0.005°
γ	90°
Cell volume	718.77 ± 0.06 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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