Crystallography Open Database

Information card for entry 7156081

Preview

Coordinates	7156081.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Galia6 (Prathap)
Formula	C24 H32 N4 O2
Calculated formula	C24 H32 N4 O2
SMILES	O=C(N[C@@H](c1ccccc1)C)CN1CCN(CC1)CC(=O)N[C@H](C)c1ccccc1
Title of publication	Water soluble hydrophobic peptoids via a minor backbone modification.
Authors of publication	Darapaneni, Chandra Mohan; Kaniraj, Prathap Jeya; Maayan, Galia
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	9
Pages of publication	1480 - 1488
a	8.83 ± 0.0002 Å
b	14.378 ± 0.0009 Å
c	17.669 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2243.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
230800 (current)	2019-11-17	cif/ Updating files of 7156081 Original log message: Adding full bibliography for 7156081.cif.	7156081.cif
205688	2018-01-26	cif/ Adding structures of 7156081 via cif-deposit CGI script.	7156081.cif