Crystallography Open Database

Information card for entry 1506981

Preview

Coordinates	1506981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H26 O6 Si
Calculated formula	C17 H26 O6 Si
Title of publication	Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.
Authors of publication	Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	20
Pages of publication	3569 - 3571
a	8.661 ± 0.0004 Å
b	9.298 ± 0.0007 Å
c	12.915 ± 0.001 Å
α	90.589 ± 0.004°
β	99.965 ± 0.005°
γ	108.2 ± 0.005°
Cell volume	970.81 ± 0.12 Å³
Cell temperature	298 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.05
Weighted residual factors for all reflections	0.103
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections	0.355
Goodness-of-fit parameter for significantly intense reflections	0.347
Goodness-of-fit parameter for all reflections included in the refinement	0.347
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506981.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506981.cif
51584	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506977, 1506978, 1506979, 1506980, 1506981, 1506982, 1506983, 1506984, 1506985, 1506986 via cif-deposit CGI script.	1506981.cif