Crystallography Open Database

Information card for entry 7157489

Preview

Coordinates	7157489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C210 H270 B6 N6 O24
Calculated formula	C210 H269.5 B6 N6 O24
Title of publication	Preparation of cage-shaped hexakis(spiroborate)s.
Authors of publication	Danjo, Hiroshi; Masuda, Yuhki; Kidena, Yuki; Kawahata, Masatoshi; Ohara, Kazuaki; Yamaguchi, Kentaro
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	19
Pages of publication	3717 - 3723
a	42.922 ± 0.009 Å
b	30.652 ± 0.006 Å
c	19.133 ± 0.004 Å
α	90°
β	94.97 ± 0.03°
γ	90°
Cell volume	25078 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1391
Residual factor for significantly intense reflections	0.1064
Weighted residual factors for significantly intense reflections	0.3231
Weighted residual factors for all reflections included in the refinement	0.3545
Goodness-of-fit parameter for all reflections included in the refinement	1.324
Diffraction radiation wavelength	0.75 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252911 (current)	2020-06-05	cif/ Updating files of 7157489, 7157490 Original log message: Adding full bibliography for 7157489--7157490.cif.	7157489.cif
251530	2020-05-05	cif/ Adding structures of 7157489, 7157490 via cif-deposit CGI script.	7157489.cif