Crystallography Open Database

Information card for entry 1555280

Preview

Coordinates	1555280.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Boc-(UgFNM)2-NHMe
Chemical name	Boc-(UgFNM)2-NHMe
Formula	C44 H71 N7 O12
Calculated formula	C44 H71 N7 O12
SMILES	OC(C)C.O(C(C)(C)C)C(=O)NC(C(=O)N[C@H]([C@H](CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)[C@@H](CN(=O)=O)CC(=O)NC)(C)C)CN(=O)=O)Cc1ccccc1)(C)C.CC(C)O
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	27.637 ± 0.018 Å
b	27.637 ± 0.018 Å
c	11.845 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	7835 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.2669
Residual factor for significantly intense reflections	0.1189
Weighted residual factors for significantly intense reflections	0.2095
Weighted residual factors for all reflections included in the refinement	0.2638
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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.	1555280.cif