Crystallography Open Database

Information card for entry 4502640

Preview

Coordinates	4502640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 N O4
Calculated formula	C35.004 H41.011 N1.001 O4
Title of publication	Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization
Authors of publication	Báthori, Nikoletta B.; Nassimbeni, Luigi R.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	4
Pages of publication	1782
a	9.4671 ± 0.0019 Å
b	9.5797 ± 0.0019 Å
c	17.187 ± 0.003 Å
α	78.99 ± 0.03°
β	82.17 ± 0.03°
γ	79.16 ± 0.03°
Cell volume	1494.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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