Crystallography Open Database

Information card for entry 7100208

Preview

Coordinates	7100208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 B2 O4
Calculated formula	C18 H12 B2 O4
SMILES	B1(Oc2c(O1)cccc2)c1ccc(B2Oc3c(cccc3)O2)cc1
Title of publication	Substituent Effects on the Structure and Supramolecular Assembly of Bis(dioxaborole)s
Authors of publication	John Lavigne; Weijun Niu.; Brett M. Rambo; Mark D. Smith
Journal of publication	Chemical Communications
Year of publication	2005
a	11.2841 ± 0.0009 Å
b	5.5991 ± 0.0004 Å
c	22.8642 ± 0.0018 Å
α	90°
β	95.695 ± 0.001°
γ	90°
Cell volume	1437.45 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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