Crystallography Open Database

Information card for entry 2300001

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Coordinates	2300001.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tris(4-bromophenyl)boroxine
Formula	C18 H12 B3 Br3 O3
Calculated formula	C18 B3 Br3 O3
Title of publication	A novel strategy for <i>ab initio</i> structure determination using micro-powder X-ray diffraction: structure solution and refinement of 3-bromophenylboronic acid and tris(4-bromophenyl)boroxine
Authors of publication	Nattamai S. P. Bhuvanesh; Joseph H. Reibenspies; Peter L. Lee; Yuegang Zhang
Journal of publication	Journal of Applied Crystallography
Year of publication	2005
Journal volume	38
Journal issue	4
Pages of publication	632 - 638
a	18.9289 ± 0.0006 Å
b	21.8872 ± 0.0006 Å
c	4.8842 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2023.53 ± 0.12 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Diffraction radiation wavelength	0.619383 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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