Crystallography Open Database

Information card for entry 1555278

Preview

Coordinates	1555278.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Boc-gV(NM)-gV(NM)-gV(NM)-gV(NM)-OEt
Chemical name	Boc-gV(NM)-gV(NM)-gV(NM)-gV(NM)-OEt
Formula	C39 H70 N8 O15
Calculated formula	C39 H70 N8 O15
SMILES	O(C(C)(C)C)C(=O)N[C@H]([C@H](CC(=O)N[C@H]([C@H](CC(=O)N[C@H]([C@H](CC(=O)N[C@H]([C@H](CC(=O)OCC)CN(=O)=O)C(C)C)CN(=O)=O)C(C)C)CN(=O)=O)C(C)C)CN(=O)=O)C(C)C
Title of publication	γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.
Authors of publication	Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	19
Pages of publication	4738 - 4741
a	9.319 ± 0.004 Å
b	23.446 ± 0.01 Å
c	11.396 ± 0.005 Å
α	90°
β	108.442 ± 0.007°
γ	90°
Cell volume	2362.1 ± 1.8 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	0.0531
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
238433 (current)	2019-11-24	cif/ Adding structures of 1555276, 1555277, 1555278, 1555279, 1555280, 1555281 via cif-deposit CGI script.	1555278.cif