Crystallography Open Database

Information card for entry 7240773

Preview

Coordinates	7240773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H25 N2 O6 P
Calculated formula	C13 H25 N2 O6 P
SMILES	P(=O)(OCC)(OCC)C(=C)NC(=O)CNC(=O)OC(C)(C)C
Title of publication	A novel approach for obtaining α,β-diaminophosphonates bearing structurally diverse side chains and their interactions with transition metal ions studied by ITC
Authors of publication	Lenartowicz, Paweł; Witkowska, Danuta; Żyszka-Haberecht, Beata; Dziuk, Błażej; Ejsmont, Krzysztof; Świątek-Kozłowska, Jolanta; Kafarski, Paweł
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	40
Pages of publication	24045 - 24056
a	9.9692 ± 0.0003 Å
b	17.6005 ± 0.0005 Å
c	10.3762 ± 0.0003 Å
α	90°
β	111.329 ± 0.004°
γ	90°
Cell volume	1695.94 ± 0.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.0456
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258085 (current)	2020-10-06	cif/ Updating files of 7240772, 7240773 Original log message: Adding full bibliography for 7240772--7240773.cif.	7240773.cif
253391	2020-06-24	cif/ Adding structures of 7240772, 7240773 via cif-deposit CGI script.	7240773.cif