Crystallography Open Database

Information card for entry 7711847

Preview

Coordinates	7711847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H33 Fe N2 O P
Calculated formula	C24 H33 Fe N2 O P
SMILES	[Fe]12345678([c]9([c]1([cH]4[cH]3[cH]29)[P@@](=O)(N(CC)CC)c1ccccc1)[C@@H](N(C)C)C)[cH]1[cH]6[cH]7[cH]5[cH]81.[Fe]12345678([c]9([c]1([cH]4[cH]3[cH]29)[P@](=O)(N(CC)CC)c1ccccc1)[C@H](N(C)C)C)[cH]1[cH]6[cH]7[cH]5[cH]81
Title of publication	Ferrocene-based <i>P</i>-chiral amidophosphinate: stereoselective synthesis and X-ray structural study.
Authors of publication	Shekurov, Ruslan P.; Zagidullin, Almaz A.; Khrizanforov, Mikhail N.; Islamov, Daut R.; Gerasimova, Tatiana P.; Akhmatkhanova, Farida F.; Miluykov, Vasily A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	10.5572 ± 0.0001 Å
b	11.5144 ± 0.0001 Å
c	18.7369 ± 0.0002 Å
α	90°
β	97.575 ± 0.001°
γ	90°
Cell volume	2257.78 ± 0.04 Å³
Cell temperature	99.9 ± 0.9 K
Ambient diffraction temperature	99.9 ± 0.9 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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

Version history

Revision	Date	Message	Files
279633 (current)	2022-11-30	cif/ Adding structures of 7711846, 7711847 via cif-deposit CGI script.	7711847.cif