Crystallography Open Database

Information card for entry 4022234

Preview

Coordinates	4022234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 N2 O7 S
Calculated formula	C40 H34 N2 O7 S
Title of publication	Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides
Authors of publication	Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee
Journal of publication	Journal of Organic Chemistry
Year of publication	2002
Journal volume	67
Pages of publication	7343 - 7354
a	10.6203 ± 0.0002 Å
b	12.3719 ± 0.0002 Å
c	15.0349 ± 0.0003 Å
α	66.3144 ± 0.0009°
β	70.7873 ± 0.0009°
γ	82.9391 ± 0.0008°
Cell volume	1708.22 ± 0.05 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.1009
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2047
Weighted residual factors for all reflections included in the refinement	0.2298
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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