Crystallography Open Database

Information card for entry 7159011

Preview

Coordinates	7159011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H66 N4 O8
Calculated formula	C38 H64 N4 O8
Title of publication	Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.
Authors of publication	Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	5
Pages of publication	970 - 980
a	9.77455 ± 0.00019 Å
b	17.1488 ± 0.0003 Å
c	24.9042 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4174.49 ± 0.14 Å³
Cell temperature	133 K
Ambient diffraction temperature	133 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	0.0604
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281563 (current)	2023-03-04	cif/ Updating files of 7159010, 7159011, 7159012 Original log message: Adding full bibliography for 7159010--7159012.cif.	7159011.cif
279414	2022-11-19	cif/ Adding structures of 7159010, 7159011, 7159012 via cif-deposit CGI script.	7159011.cif