Crystallography Open Database

Information card for entry 1569408

Preview

Coordinates	1569408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C432 H334 Ca24 Cl6 O186
Calculated formula	C432 H334 Ca24 Cl6 O200
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	31.196 ± 0.003 Å
b	31.607 ± 0.003 Å
c	44.006 ± 0.004 Å
α	90°
β	91.733 ± 0.002°
γ	90°
Cell volume	43371 ± 7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
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	0.1893
Residual factor for significantly intense reflections	0.1663
Weighted residual factors for significantly intense reflections	0.4734
Weighted residual factors for all reflections included in the refinement	0.5175
Goodness-of-fit parameter for all reflections included in the refinement	2.606
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
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.	1569408.cif
284759	2023-07-04	cif/ Adding structures of 1569408, 1569409 via cif-deposit CGI script.	1569408.cif