Crystallography Open Database

Information card for entry 4123751

Preview

Coordinates	4123751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C204 H210 B12 N6 O12
Calculated formula	C185.4 H170.9 B12 N6 O12
Title of publication	Self-Assembly of Nanometer-Sized Boroxine Cages from Diboronic Acids.
Authors of publication	Ono, Kosuke; Johmoto, Kohei; Yasuda, Nobuhiro; Uekusa, Hidehiro; Fujii, Shintaro; Kiguchi, Manabu; Iwasawa, Nobuharu
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	22
Pages of publication	7015 - 7018
a	19.4461 ± 0.0011 Å
b	21.3569 ± 0.0011 Å
c	40.01 ± 0.002 Å
α	102.186 ± 0.0013°
β	96.8631 ± 0.0016°
γ	98.1991 ± 0.0015°
Cell volume	15882.7 ± 1.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3317
Residual factor for significantly intense reflections	0.2163
Weighted residual factors for significantly intense reflections	0.5394
Weighted residual factors for all reflections included in the refinement	0.5818
Goodness-of-fit parameter for all reflections included in the refinement	1.501
Diffraction radiation wavelength	0.78305 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140111 (current)	2015-07-05	cif/ Updating files of 4123751 Original log message: Adding full bibliography for 4123751.cif.	4123751.cif
137433	2015-05-28	cif/ Adding structures of 4123751 via cif-deposit CGI script.	4123751.cif