Crystallography Open Database

Information card for entry 1506986

Preview

Coordinates	1506986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 O6
Calculated formula	C27 H30 O6
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	9.973 ± 0.0005 Å
b	11.377 ± 0.001 Å
c	10.87 ± 0.001 Å
α	94.578 ± 0.004°
β	99.652 ± 0.005°
γ	104.643 ± 0.005°
Cell volume	1166.7 ± 0.16 Å³
Cell temperature	298 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.173
Residual factor for significantly intense reflections	0.167
Weighted residual factors for all reflections	0.486
Weighted residual factors for significantly intense reflections	0.486
Weighted residual factors for all reflections included in the refinement	0.486
Goodness-of-fit parameter for all reflections	1.142
Goodness-of-fit parameter for significantly intense reflections	1.242
Goodness-of-fit parameter for all reflections included in the refinement	1.242
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.	1506986.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506986.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.	1506986.cif