Crystallography Open Database

Information card for entry 7215481

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Coordinates	7215481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H33 N O6
Calculated formula	C21 H17 N O6
Title of publication	The role of secondary ammonium cations in controlling the conformation of C3-symmetric acid moieties and its implication for the design of supramolecular capsules
Authors of publication	Adalder, Tapas Kumar; Dastidar, Parthasarathi
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	22
Pages of publication	4867
a	14.566 ± 0.01 Å
b	9.991 ± 0.007 Å
c	17.129 ± 0.011 Å
α	90°
β	112.74 ± 0.013°
γ	90°
Cell volume	2299 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1429
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2308
Weighted residual factors for all reflections included in the refinement	0.2754
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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