Crystallography Open Database

Information card for entry 2204571

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Structure parameters

Chemical name	1,1,1-Tris[(pyrrol-1-yl)methyl]ethane
Formula	C17 H21 N3
Calculated formula	C17 H21 N3
SMILES	n1(CC(Cn2cccc2)(Cn2cccc2)C)cccc1
Title of publication	1,1,1-Tris[(pyrrol-1-yl)methyl]ethane: herring-bone packing of supramolecular assemblies in a homochiral crystal from chemically symmetric molecules
Authors of publication	Wei Xu; Yin-Xiang Lu; Zhen-Guang Zou; Chun-Ming Liu; Bi-Jian Lan; Hui Zhou
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	o2171 - o2173
a	7.7625 ± 0.0014 Å
b	11.2496 ± 0.0019 Å
c	17.542 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1531.9 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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