Crystallography Open Database

Information card for entry 7054585

Preview

Coordinates	7054585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150.6 H206.4 N8 O14.6
Calculated formula	C150.6 H206.4 N8 O14.6
Title of publication	Selective recognition of biogenic amine hydrochlorides by heteroditopic dihomooxacalix[4]arenes
Authors of publication	Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Pisagatti, Ilenia; Marcos, Paula Maria; Ascenso, José Rosário; Brancatelli, Giovanna; Geremia, Silvano
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	2
Pages of publication	817
a	15.65 ± 0.01 Å
b	17.82 ± 0.01 Å
c	26.44 ± 0.02 Å
α	70.56 ± 0.03°
β	86.08 ± 0.03°
γ	87.57 ± 0.04°
Cell volume	6936 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1594
Residual factor for significantly intense reflections	0.1288
Weighted residual factors for significantly intense reflections	0.3366
Weighted residual factors for all reflections included in the refinement	0.3641
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.7 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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