Crystallography Open Database

Information card for entry 7132698

Preview

Coordinates	7132698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 O5 S
Calculated formula	C24 H26 O5 S
Title of publication	Iron-catalyzed cascade C-C/C-O bond formation of 2,4-dienals with donor-acceptor cyclopropanes: access to functionalized hexahydrocyclopentapyrans.
Authors of publication	Mishra, Manmath; Verma, Kshitiz; Banerjee, Sonbidya; Punniyamurthy, Tharmalingam
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	20
Pages of publication	2788 - 2791
a	10.416 ± 0.004 Å
b	19.09 ± 0.008 Å
c	11.659 ± 0.005 Å
α	90°
β	113.372 ± 0.013°
γ	90°
Cell volume	2128.1 ± 1.5 Å³
Cell temperature	137 K
Ambient diffraction temperature	137 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1866
Weighted residual factors for all reflections included in the refinement	0.1949
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7132698.html