Crystallography Open Database: Information card for 4060206

Structure parameters

Formula	C33 H44 N6 O19 S4
Calculated formula	C25 H20 N6 O15
Title of publication	Design of a Synthetic Foldamer that Modifies the Growth of Calcite Crystals
Authors of publication	Lara A. Estroff; Christopher D. Incarvito; Andrew D. Hamilton
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	2 - 3
a	13.6343 ± 0.0014 Å
b	14.1508 ± 0.0014 Å
c	23.889 ± 0.002 Å
α	86.844 ± 0.002°
β	82.792 ± 0.002°
γ	71.115 ± 0.002°
Cell volume	4325.9 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Hermann-Mauguin symmetry space group	P -1
Hall symmetry space group	-P 1
Residual factor for all reflections	0.1871
Residual factor for observed reflections	0.1289
Weighted residual factors for the observed reflections	0.3155
Weighted residual factors for all reflections included in the refinement	0.333
Goodness-of-fit parameter for observed reflections	1.479
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Crystallography Open Database