Crystallography Open Database

Information card for entry 1547504

Preview

Coordinates	1547504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114.47 H115.78 B3 N12.82 O14.82
Calculated formula	C114.016 H114.704 B3 N12.672 O14.672
Title of publication	Proton-Induced Assembly‒Disassembly Modulation of Spiroborate Twin-Bowl Polymers Bearing Pyridyl Groups
Authors of publication	Danjo, Hiroshi; Hamaguchi, Masahiro; Asai, Kohei; Nakatani, Mizuki; Kawanishi, Hiroko; Kawahata, Masatoshi; Yamaguchi, Kentaro
Journal of publication	Macromolecules
Year of publication	2017
Journal volume	50
Journal issue	20
Pages of publication	8028
a	23.269 ± 0.005 Å
b	18.286 ± 0.004 Å
c	33.209 ± 0.007 Å
α	90°
β	92.92 ± 0.03°
γ	90°
Cell volume	14112 ± 5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1877
Residual factor for significantly intense reflections	0.123
Weighted residual factors for significantly intense reflections	0.3404
Weighted residual factors for all reflections included in the refinement	0.3887
Goodness-of-fit parameter for all reflections included in the refinement	1.286
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203995 (current)	2017-12-05	cif/ Updating files of 1547504 Original log message: Adding full bibliography for 1547504.cif.	1547504.cif
201562	2017-10-03	cif/ Adding structures of 1547504 via cif-deposit CGI script.	1547504.cif