Crystallography Open Database

Information card for entry 4024375

Preview

Coordinates	4024375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H34 O4
Calculated formula	C46 H34 O4
SMILES	C(=O)(c1ccc(c2c(c3ccc(cc3)c3c(cccc3)c3ccc(C(=O)c4ccc(OC)cc4)cc3)cccc2)cc1)c1ccc(OC)cc1
Title of publication	A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations
Authors of publication	Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	2080 - 2087
a	6.2204 ± 0.0001 Å
b	28.4415 ± 0.0005 Å
c	9.5979 ± 0.0002 Å
α	90°
β	96.922 ± 0.001°
γ	90°
Cell volume	1685.66 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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