Crystallography Open Database

Information card for entry 4072075

4072074 << 4072075 >> 4072076

Preview

Coordinates	4072075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 B P Si
Calculated formula	C12 H20 B P Si
SMILES	[P]12(CC[Si](CC1)(CC2)c1ccccc1)[BH3]
Title of publication	Synthesis, Properties, and Catalytic Applications of Caged, Compact Trialkylphosphine 4-Phenyl-1-phospha-4-silabicyclo[2.2.2]octane
Authors of publication	Ochida, Atsuko; Hamasaka, Go; Yamauchi, Yoshihiro; Kawamorita, Soichiro; Oshima, Naoya; Hara, Kenji; Ohmiya, Hirohisa; Sawamura, Masaya
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	21
Pages of publication	5494
a	6.3632 ± 0.0003 Å
b	7.6482 ± 0.0003 Å
c	13.6844 ± 0.0007 Å
α	90°
β	97.056 ± 0.002°
γ	90°
Cell volume	660.94 ± 0.05 Å³
Cell temperature	120.2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for all reflections included in the refinement	0.0371
Goodness-of-fit parameter for all reflections included in the refinement	1.265
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4072075.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072075.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072075.cif
44216	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072074, 4072075, 4072076, 4072077 via cif-deposit CGI script.	4072075.cif