Crystallography Open Database

Information card for entry 7161016

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Coordinates	7161016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 F3 O4
Calculated formula	C27 H21 F3 O4
Title of publication	Ynones as Versatile Electrophiles for the Divergent Synthesis of 4H-Chromenes and 1,4-Dihydroquinolines
Authors of publication	Thirupathi, Barla; Mishra, Gitanjali; Indu, Potnuru; Muduli, Gitanjali
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	8.4931 ± 0.0003 Å
b	11.6134 ± 0.0005 Å
c	13.1704 ± 0.0005 Å
α	70.512 ± 0.001°
β	83.813 ± 0.001°
γ	69.334 ± 0.001°
Cell volume	1145.75 ± 0.08 Å³
Cell temperature	300 ± 2 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	0.2837
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2126
Weighted residual factors for all reflections included in the refinement	0.3045
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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