Crystallography Open Database

Information card for entry 4501091

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Coordinates	4501091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H33 Cl N2 O16
Calculated formula	C48 H28 Cl 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	8.0922 ± 0.001 Å
b	12.4611 ± 0.0015 Å
c	12.587 ± 0.002 Å
α	113.496 ± 0.005°
β	96.338 ± 0.005°
γ	106.722 ± 0.004°
Cell volume	1077.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1418
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1455
Weighted residual factors for all reflections included in the refinement	0.1871
Goodness-of-fit parameter for all reflections included in the refinement	0.958
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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