Crystallography Open Database

Information card for entry 7058133

Preview

Coordinates	7058133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 N4 O5
Calculated formula	C28 H37 N3 O6
Title of publication	Tripeptide based super-organogelators: structure and function
Authors of publication	Podder, Debasish; Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Haldar, Debasish
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	9
Pages of publication	3743
a	5.9854 ± 0.0003 Å
b	19.6802 ± 0.0008 Å
c	23.593 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2779.1 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0688
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation probe	x-ray
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
224891 (current)	2019-11-08	cif/ Updating files of 7058133 Original log message: Adding full bibliography for 7058133.cif.	7058133.cif
213437	2019-02-02	cif/ Adding structures of 7058133 via cif-deposit CGI script.	7058133.cif