Crystallography Open Database

Information card for entry 7156465

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Coordinates	7156465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 O3
Calculated formula	C28 H26 O3
Title of publication	Regiospecific formal [3 + 2] annulation of tert-propargyl alcohols with acyclic 1,3-diketones via the cycloisomerization of homoallenyl ketones.
Authors of publication	Yaragorla, Srinivasarao; Rajesh, P.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	7
Pages of publication	1924 - 1928
a	9.9166 ± 0.0011 Å
b	10.0554 ± 0.0013 Å
c	12.1593 ± 0.0015 Å
α	106.883 ± 0.005°
β	98.953 ± 0.005°
γ	94.007 ± 0.005°
Cell volume	1137.6 ± 0.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 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	0.1298
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1322
Weighted residual factors for all reflections included in the refinement	0.1611
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
225210 (current)	2019-11-08	cif/ Updating files of 7156464, 7156465 Original log message: Adding full bibliography for 7156464--7156465.cif.	7156465.cif
211215	2018-09-28	cif/ Adding structures of 7156464, 7156465 via cif-deposit CGI script.	7156465.cif