Crystallography Open Database

Information card for entry 7157490

Preview

Coordinates	7157490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C223.49 H272.13 B6 N6.66 O25.16
Calculated formula	C223.484 H272.131 B6 N6.6615 O25.1615
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	27.909 ± 0.006 Å
b	32.78 ± 0.007 Å
c	34.958 ± 0.007 Å
α	105.11 ± 0.03°
β	107.86 ± 0.03°
γ	110.03 ± 0.03°
Cell volume	26098 ± 16 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.1566
Residual factor for significantly intense reflections	0.14
Weighted residual factors for significantly intense reflections	0.4052
Weighted residual factors for all reflections included in the refinement	0.4269
Goodness-of-fit parameter for all reflections included in the refinement	1.856
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.	7157490.cif
251530	2020-05-05	cif/ Adding structures of 7157489, 7157490 via cif-deposit CGI script.	7157490.cif