Crystallography Open Database

Information card for entry 7239752

Preview

Coordinates	7239752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H46 N4 O8
Calculated formula	C21 H46 N4 O8
Title of publication	Heteromolecular compounds in binary systems of amino acids with opposite and same chiralities
Authors of publication	Isakov, Anton I.; Lorenz, Heike; Zolotarev, Andrey A.; Kotelnikova, Elena N.
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	5
Pages of publication	986 - 997
a	9.6267 ± 0.0007 Å
b	5.2704 ± 0.0002 Å
c	13.829 ± 0.0017 Å
α	90°
β	109.943 ± 0.011°
γ	90°
Cell volume	659.56 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1864
Weighted residual factors for all reflections included in the refinement	0.2039
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257450 (current)	2020-10-06	cif/ Updating files of 7239752 Original log message: Adding full bibliography for 7239752.cif.	7239752.cif
247662	2020-02-04	cif/ Updating files of 7239752 Original log message: Adding full bibliography for 7239752.cif.	7239752.cif
246850	2020-01-15	cif/ Adding structures of 7239752 via cif-deposit CGI script.	7239752.cif