Crystallography Open Database

Information card for entry 7150726

Preview

Coordinates	7150726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H65 F3 O16
Calculated formula	C49 H65 F3 O16
Title of publication	Development of highly sensitive and selective molecules for detection of spermidine and spermine
Authors of publication	Tanima, Daisuke; Imamura, Yoko; Kawabata, Takeo; Tsubaki, Kazunori
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	22
Pages of publication	4689 - 4694
a	16.2859 ± 0.0002 Å
b	18.576 ± 0.0004 Å
c	17.0941 ± 0.0003 Å
α	90°
β	107.105 ± 0.0008°
γ	90°
Cell volume	4942.68 ± 0.15 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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