Crystallography Open Database

Information card for entry 1569409

Preview

Coordinates	1569409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C534 H732 Ca38 N24 Na24 O290
Calculated formula	C534 H534 Ca38 N24 Na24 O290
Title of publication	Nanocapsules of unprecedented internal volume seamed by calcium ions.
Authors of publication	Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	34
Pages of publication	9063 - 9067
a	36.2373 ± 0.0012 Å
b	36.2373 ± 0.0012 Å
c	36.2373 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	47585 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.1333
Residual factor for significantly intense reflections	0.1136
Weighted residual factors for significantly intense reflections	0.3689
Weighted residual factors for all reflections included in the refinement	0.4261
Goodness-of-fit parameter for all reflections included in the refinement	2.184
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286074 (current)	2023-09-05	cif/ Updating files of 1569408, 1569409 Original log message: Adding full bibliography for 1569408--1569409.cif.	1569409.cif
284759	2023-07-04	cif/ Adding structures of 1569408, 1569409 via cif-deposit CGI script.	1569409.cif