Crystallography Open Database

Information card for entry 7205771

7205770 << 7205771 >> 7205772

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Coordinates	7205771.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(cyclododecylammonium).(adamantanecarboxylate)
Formula	C23 H41 N O2
Calculated formula	C23 H41 N O2
Title of publication	Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12
Authors of publication	Lemmerer, Andreas
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2849
a	28.971 ± 0.0006 Å
b	6.585 ± 0.0001 Å
c	23.0547 ± 0.0005 Å
α	90°
β	102.386 ± 0.001°
γ	90°
Cell volume	4295.87 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	0.644
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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