Crystallography Open Database

Information card for entry 4501090

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Coordinates	4501090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H38 N2 O18
Calculated formula	C42 H20 N2 O16
Title of publication	Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions
Authors of publication	Roy, Sandipan; Biradha, Kumar
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	9
Pages of publication	4120
a	12.872 ± 0.003 Å
b	14.222 ± 0.004 Å
c	14.895 ± 0.006 Å
α	115.035 ± 0.01°
β	96.909 ± 0.01°
γ	110.169 ± 0.007°
Cell volume	2202.6 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1194
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1747
Weighted residual factors for all reflections included in the refinement	0.1951
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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