Crystallography Open Database

Information card for entry 7059399

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Coordinates	7059399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 O6
Calculated formula	C28 H28 O6
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	8.0723 ± 0.0003 Å
b	17.1909 ± 0.0006 Å
c	17.1065 ± 0.0008 Å
α	90°
β	98.515 ± 0.004°
γ	90°
Cell volume	2347.7 ± 0.16 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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