Crystallography Open Database

Information card for entry 7132576

Preview

Coordinates	7132576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.56 H53.12 N6 O4.28
Calculated formula	C50.56 H53.12 N6 O4.28
Title of publication	Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing dynamic covalent bonds and its unsymmetric conversion.
Authors of publication	Hokimoto, Yuya; Nakamura, Takashi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	10
Pages of publication	1281 - 1284
a	18.9446 ± 0.0009 Å
b	18.9446 ± 0.0009 Å
c	22.0233 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	6845.2 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.2006
Weighted residual factors for all reflections included in the refinement	0.216
Goodness-of-fit parameter for all reflections included in the refinement	1.548
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289315 (current)	2024-02-04	cif/ Updating files of 7132576, 7132577, 7132578, 7132579 Original log message: Adding full bibliography for 7132576--7132579.cif.	7132576.cif
288657	2024-01-04	cif/ Adding structures of 7132576, 7132577, 7132578, 7132579 via cif-deposit CGI script.	7132576.cif