Crystallography Open Database

Information card for entry 7059398

Preview

Coordinates	7059398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 O3
Calculated formula	C9 H12 O3
Title of publication	In(OTf)3-catalysed easy access to dihydropyranocoumarin and dihydropyranochromone derivatives
Authors of publication	Boufroua, Naouel; Dunach, Elisabet; Fontaine-Vive, Fabien; Achouche-Bouzroura, Samia; Poulain-Martini, Sophie
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	15
Pages of publication	6042 - 6052
a	9.9577 ± 0.0007 Å
b	6.342 ± 0.0004 Å
c	14.3464 ± 0.0012 Å
α	90°
β	98.748 ± 0.008°
γ	90°
Cell volume	895.46 ± 0.11 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
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	0.0768
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1458
Weighted residual factors for all reflections included in the refinement	0.1573
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7059398.html