Crystallography Open Database

Information card for entry 4038275

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Coordinates	4038275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 F N2 O3
Calculated formula	C17 H11 F N2 O3
Title of publication	Close Amide NH···F Hydrogen Bonding Interactions in 1,8-Disubstituted Naphthalenes.
Authors of publication	Kazim, Muhammad; Siegler, Maxime A.; Lectka, Thomas
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	12.8867 ± 0.0005 Å
b	4.97269 ± 0.00015 Å
c	21.7966 ± 0.0008 Å
α	90°
β	106.662 ± 0.004°
γ	90°
Cell volume	1338.11 ± 0.09 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.0398
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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