Crystallography Open Database

Information card for entry 7235289

Preview

Coordinates	7235289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 N5 O4
Calculated formula	C17 H27 N5 O4
Title of publication	Design and synthesis of cyclic depsipeptides containing triazole (CDPT) rings
Authors of publication	Agrawal, Sumit K.; Panini, Piyush; Sathe, Manisha; Chopra, Deepak; Kaushik, M. P.
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	21
Pages of publication	10728
a	9.359 ± 0.004 Å
b	10.657 ± 0.004 Å
c	19.105 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1905.5 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1384
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	0.906
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
288505 (current)	2023-12-22	Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name.	7235289.cif
232660	2019-11-23	cif/ Adding structures of 7235289 via cif-deposit CGI script.	7235289.cif