Crystallography Open Database

Information card for entry 4509744

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Coordinates	4509744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H66 N4 O18
Calculated formula	C82 H62 N4 O18
Title of publication	Two-Dimensional Organic Brick-Wall Layers as Hosts for the Inclusion and Study of Aromatics Ensembles: Acid−Pyridine and Acid−Carbonyl Synthons for Multicomponent Materials
Authors of publication	Santra, Ramkinkar; Biradha, Kumar
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	11
Pages of publication	4969
a	22.4015 ± 0.0013 Å
b	24.8681 ± 0.0014 Å
c	14.4804 ± 0.0008 Å
α	90°
β	122.68 ± 0.002°
γ	90°
Cell volume	6789.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1335
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.1965
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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