Crystallography Open Database

Information card for entry 7157160

Preview

Coordinates	7157160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H79 N6 O7
Calculated formula	C87 H79 N6 O7
Title of publication	Synthesis and chiroptical properties of cylindrical macrocycles comprising two calix[3]aramide moieties.
Authors of publication	Saito, Yuuki; Satake, Misa; Mori, Ryuichi; Okayasu, Misaki; Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Yamaguchi, Kentaro; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	2
Pages of publication	230 - 236
a	14.89204 ± 0.00007 Å
b	17.25623 ± 0.0001 Å
c	28.41877 ± 0.00013 Å
α	90°
β	98.1145 ± 0.0004°
γ	90°
Cell volume	7229.95 ± 0.06 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1818
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247821 (current)	2020-02-04	cif/ Updating files of 7157160, 7157161 Original log message: Adding full bibliography for 7157160--7157161.cif.	7157160.cif
219481	2019-10-24	cif/ Adding structures of 7157160, 7157161 via cif-deposit CGI script.	7157160.cif