Crystallography Open Database

Information card for entry 7160073

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Coordinates	7160073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H19 F3 O4
Calculated formula	C25 H19 F3 O4
Title of publication	Synthesis of fused-pyran derivatives <i>via</i> a base-mediated annulation of bis-allenoates followed by auto-oxidation in air.
Authors of publication	Zhao, Jun-Bo; Yang, Jing-Kui
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	32
Pages of publication	6543 - 6549
a	9.6264 ± 0.0017 Å
b	10.7417 ± 0.0018 Å
c	11.025 ± 0.002 Å
α	97.196 ± 0.006°
β	113.78 ± 0.006°
γ	92.477 ± 0.006°
Cell volume	1029.5 ± 0.3 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 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	0.1031
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2446
Weighted residual factors for all reflections included in the refinement	0.2684
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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