Crystallography Open Database

Information card for entry 4025285

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Coordinates	4025285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C185.99 H230.96 N12 O27
Calculated formula	C185.988 H230.958 N11.997 O27
Title of publication	A New Class of C3-Symmetrical Hemicryptophane Hosts: Triamide- and Tren-hemicryptophanes
Authors of publication	Pascal Dimitrov Raytchev; Olivier Perraud; Christophe Aronica; Alexandre Martinez; Jean-Pierre Dutasta
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	2099 - 2102
a	16.61 ± 0.019 Å
b	16.61 ± 0.008 Å
c	37.237 ± 0.011 Å
α	90°
β	90°
γ	120°
Cell volume	8897 ± 11 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1882
Residual factor for significantly intense reflections	0.139
Weighted residual factors for all reflections	0.2369
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.1275
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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