Crystallography Open Database

Information card for entry 1567726

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Coordinates	1567726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 F O
Calculated formula	C20 H17 F O
Title of publication	Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis
Authors of publication	Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	42
Pages of publication	12503 - 12510
a	38.8063 ± 0.0006 Å
b	15.6732 ± 0.0003 Å
c	9.8717 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6004.15 ± 0.19 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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