Crystallography Open Database

Information card for entry 8107201

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Coordinates	8107201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 F2 N8 O14
Calculated formula	C36 H52 F2 N8 O14
Title of publication	The crystal structure of bis(4-(6-carboxy-8-ethyl-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2- yl)piperazin-1-ium) adipate tetrahydrate, C36H52F2N8O14
Authors of publication	Jiang, Cheng-Jun; Xia, Ying-Fan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	729 - 731
a	6.9775 ± 0.0004 Å
b	9.0785 ± 0.0006 Å
c	16.8942 ± 0.001 Å
α	103.688 ± 0.002°
β	92.778 ± 0.002°
γ	106.206 ± 0.002°
Cell volume	990.91 ± 0.11 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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