Crystallography Open Database

Information card for entry 7134754

Preview

Coordinates	7134754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.88 H1.88 Br0.25 O0.62
Calculated formula	C2.875 H1.875 Br0.25 O0.625
Title of publication	A Mn(III)-catalysed domino process for C-3 substituted dihydrocoumarins from 2-hydroxybenzyl alcohols and 4-hydroxy-2<i>H</i>-chromen-2-ones.
Authors of publication	Londhe, Gokul S.; Mondal, Shankhajit; Gnanaprakasam, Boopathy
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	62
Pages of publication	11617 - 11620
a	4.725 ± 0.008 Å
b	13.22 ± 0.05 Å
c	17.69 ± 0.06 Å
α	112.5 ± 0.3°
β	92.17 ± 0.17°
γ	89.8 ± 0.18°
Cell volume	1020 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0911
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.1918
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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/7134754.html