Crystallography Open Database

Information card for entry 7045307

Preview

Coordinates	7045307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H22 B10 O
Calculated formula	C9 H22 B10 O
SMILES	O=C1[C]2345[C]678(C(C1)CCCC)[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132
Title of publication	Synthesis of carborane-fused carbo- and heterocycles via zirconacyclopentane intermediates.
Authors of publication	Cui, Chun-Xiao; Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	7
Pages of publication	2453 - 2459
a	9.7372 ± 0.001 Å
b	6.7953 ± 0.0007 Å
c	22.715 ± 0.003 Å
α	90°
β	98.023 ± 0.002°
γ	90°
Cell volume	1488.3 ± 0.3 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1666
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229781 (current)	2019-11-17	cif/ Updating files of 7045305, 7045306, 7045307, 7045308 Original log message: Adding full bibliography for 7045305--7045308.cif.	7045307.cif
205297	2018-01-17	cif/ Adding structures of 7045305, 7045306, 7045307, 7045308 via cif-deposit CGI script.	7045307.cif