Crystallography Open Database

Information card for entry 4113254

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Coordinates	4113254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92.5 H93 B4 Cl N4 O8
Calculated formula	C92.5 H93 B4 Cl N4 O8
Title of publication	An Enantioselective Fluorescent Sensor for Sugar Acids
Authors of publication	Jianzhang Zhao; Matthew G. Davidson; Mary F. Mahon; Gabriele Kociok-Köhn; Tony D. James
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	16179 - 16186
a	12.425 ± 0.0003 Å
b	25.943 ± 0.0006 Å
c	14.708 ± 0.0005 Å
α	90°
β	114.259 ± 0.001°
γ	90°
Cell volume	4322.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.137
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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