Crystallography Open Database

Information card for entry 4504519

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Structure parameters

Formula	C43 H40 N4 O3
Calculated formula	C43 H40 N4 O3
SMILES	Oc1c(C(c2ccccc2O)c2ccc(O)cc2)cccc1.n1ccc(CCc2ccncc2)cc1.n1ccc(CCc2ccncc2)cc1
Title of publication	Formation of Interesting Organic Supramolecular Structures in the Solid-State Self-Assembly of Triphenol Adducts
Authors of publication	Jayaraman, Akhila; Balasubramaniam, Venkataramanan; Valiyaveettil, Suresh
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	1
Pages of publication	150
a	11.3532 ± 0.0007 Å
b	12.3238 ± 0.0007 Å
c	13.6984 ± 0.0008 Å
α	107.633 ± 0.001°
β	102.933 ± 0.001°
γ	93.574 ± 0.002°
Cell volume	1762.66 ± 0.18 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0915
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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