Crystallography Open Database

Information card for entry 4518207

Preview

Coordinates	4518207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C268 H330 N54 O69.6
Calculated formula	C268 H330 N54 O69.6
Title of publication	Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm.
Authors of publication	Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz
Journal of publication	ACS omega
Year of publication	2020
Journal volume	5
Journal issue	45
Pages of publication	29601 - 29608
a	13.5574 ± 0.0003 Å
b	17.7049 ± 0.0003 Å
c	29.5129 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7084.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
259511 (current)	2020-12-04	cif/ Updating files of 4518204, 4518205, 4518206, 4518207 Original log message: Adding full bibliography for 4518204--4518207.cif.	4518207.cif
258770	2020-11-06	cif/ Adding structures of 4518207 via cif-deposit CGI script.	4518207.cif