Crystallography Open Database

Information card for entry 4102210

Preview

Coordinates	4102210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.75 H34.5 Cl2.5 N2
Calculated formula	C39.75 H34.5 Cl2.5 N2
Title of publication	Helical Chiral 2-Aminopyridinium Ions: A New Class of Hydrogen Bond Donor Catalysts
Authors of publication	Norito Takenaka; Jinshui Chen; Burjor Captain; Robindro Singh Sarangthem; Appayee Chandrakumar
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	4536 - 4537
a	11.8748 ± 0.0005 Å
b	15.8767 ± 0.0007 Å
c	16.875 ± 0.0007 Å
α	85.109 ± 0.001°
β	83.954 ± 0.001°
γ	80.518 ± 0.001°
Cell volume	3113.1 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0713
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1508
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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