Crystallography Open Database

Information card for entry 7160508

Preview

Coordinates	7160508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H54 N4 O10
Calculated formula	C44 H54 N4 O10
Title of publication	An aromatic layered foldamer based on a (<i>cis</i>, <i>cis</i>)-squaramide: chiral induction and absolute structure.
Authors of publication	Kuyama, Kazusa; Takeda, Fumi; Ikeda, Ayano; Tanaka, Kimiko; Katagiri, Kosuke; Kawahata, Masatoshi; Okada, Yusuke; Kobayashi, Nagao; Kagechika, Hiroyuki; Tanatani, Aya
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	20
Pages of publication	4927 - 4933
a	16.05 ± 0.003 Å
b	8.83 ± 0.0018 Å
c	16.355 ± 0.003 Å
α	90°
β	116.59 ± 0.03°
γ	90°
Cell volume	2072.7 ± 0.9 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	0.1132
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1811
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301145 (current)	2025-07-06	cif/ Updating files of 7160508 Original log message: Adding full bibliography for 7160508.cif.	7160508.cif
299335	2025-04-19	cif/ Adding structures of 7160508 via cif-deposit CGI script.	7160508.cif