Crystallography Open Database

Information card for entry 1555279

Preview

Coordinates	1555279.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Boc-UgFNMUgFNHMe
Chemical name	Boc-UgFNMUgFNHMe
Formula	C37 H54 N6 O8
Calculated formula	C37 H54 N6 O8
SMILES	O=C(N[C@H]([C@H](CC(=O)NC(C(=O)N[C@H](CCC(=O)NC)Cc1ccccc1)(C)C)CN(=O)=O)Cc1ccccc1)C(NC(=O)OC(C)(C)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	11.813 ± 0.003 Å
b	9.272 ± 0.002 Å
c	19.747 ± 0.004 Å
α	90°
β	104.524 ± 0.005°
γ	90°
Cell volume	2093.8 ± 0.8 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	0.0877
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	0.758
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.	1555279.cif