Crystallography Open Database

Information card for entry 4108437

Preview

Coordinates	4108437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H56 Br1.13 N8 O11.13
Calculated formula	C63 H56 Br1.073 N8 O11.063
Title of publication	Remote Substituent Effects and Regioselective Enhancement of Electrophilic Substitutions in Helical Aromatic Oligoamides
Authors of publication	Kolupula Srinivas; Brice Kauffmann; Christel Dolain; Jean-Michel Léger; Léon Ghosez; Ivan Huc
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	13210 - 13211
a	37.784 ± 0.002 Å
b	15.211 ± 0.001 Å
c	19.567 ± 0.001 Å
α	90°
β	90.719 ± 0.003°
γ	90°
Cell volume	11244.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1127
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.3091
Weighted residual factors for all reflections included in the refinement	0.3166
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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