Crystallography Open Database

Information card for entry 7248267

Preview

Coordinates	7248267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H72 N8 O8
Calculated formula	C45 H72 N8 O8
SMILES	C(=O)(N)C(NC(=O)CC(C)(C)CNC(=O)C(NC(=O)/C=C/C=C/[C@@H](NC(=O)C(NC(=O)CC[C@@H](NC(=O)C(NC(=O)C)(C)C)CC(C)C)(C)C)Cc1ccccc1)(C)C)(C)C
Title of publication	Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides
Authors of publication	Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	7
Pages of publication	913 - 917
a	17.73 ± 0.1 Å
b	10.52 ± 0.06 Å
c	28.85 ± 0.16 Å
α	90°
β	99.42 ± 0.08°
γ	90°
Cell volume	5309 ± 5 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	0.2139
Residual factor for significantly intense reflections	0.107
Weighted residual factors for significantly intense reflections	0.2415
Weighted residual factors for all reflections included in the refinement	0.2902
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
290049 (current)	2024-03-04	cif/ Adding structures of 7248265, 7248266, 7248267 via cif-deposit CGI script.	7248267.cif