Crystallography Open Database

Information card for entry 7238338

Preview

Coordinates	7238338.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dimethyl 1,8-naphthyridine-2,7-dicarboxylate
Formula	C12 H10 N2 O4
Calculated formula	C12 H10 N2 O4
Title of publication	Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state
Authors of publication	Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	12
Pages of publication	4074
a	3.7854 ± 0.0003 Å
b	46.326 ± 0.005 Å
c	6.1728 ± 0.0006 Å
α	90°
β	104.357 ± 0.006°
γ	90°
Cell volume	1048.67 ± 0.18 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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