Crystallography Open Database

Information card for entry 7100199

Preview

Coordinates	7100199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 B O6
Calculated formula	C18 H23 B O6
SMILES	B1(c2cc3c(cc2)CC(C3)(C(=O)OC)C(=O)OC)OCC(CO1)(C)C
Title of publication	Synthesis of bi- and tricyclic arylboronates via Cp*RuCl-catalyzed cycloaddition of ?,?-diynes with ethynylboronate
Authors of publication	Yoshihiko Yamamoto; Kozo Hattori; Jun-ichi Ishii; Keiji Itoh; Hisao Nishiyama
Journal of publication	Chemical Communications
Year of publication	2005
a	6.0252 ± 0.0004 Å
b	12.4955 ± 0.0009 Å
c	13.2849 ± 0.0009 Å
α	62.799 ± 0.001°
β	84.221 ± 0.002°
γ	84.295 ± 0.001°
Cell volume	883.45 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.