Crystallography Open Database

Information card for entry 4108260

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Structure parameters

Formula	C30 H48 N4
Calculated formula	C30 H48 N4
SMILES	N1(C(C)C)CCCN(C(C)C)c2ccc(N(C(C)C)CCCN(C(C)C)c3ccc1cc3)cc2
Title of publication	Alkylated Trimethylene-Bridged Bis(p-Phenylenediamines)
Authors of publication	Stephen F. Nelsen; Gaoquan Li; Kevin P. Schultz; Hieu Q. Tran; Ilia A. Guzei; Dennis H. Evans
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	11620 - 11622
a	10.2619 ± 0.0003 Å
b	11.3556 ± 0.0003 Å
c	12.6191 ± 0.0003 Å
α	104.525 ± 0.001°
β	101.089 ± 0.001°
γ	91.059 ± 0.001°
Cell volume	1393.48 ± 0.06 Å³
Cell temperature	444 ± 2 K
Ambient diffraction temperature	444 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	Cu-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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