Crystallography Open Database

Information card for entry 7153535

Preview

Coordinates	7153535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.17 H40.5 N4.17 O2.33
Calculated formula	C25.1667 H40.5 N4.16667 O2.33333
Title of publication	Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes
Authors of publication	El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2004
Journal volume	2
Journal issue	20
Pages of publication	2935 - 2941
a	13.0112 ± 0.0009 Å
b	17.31 ± 0.003 Å
c	17.729 ± 0.004 Å
α	88.46 ± 0.014°
β	81.647 ± 0.01°
γ	88.021 ± 0.01°
Cell volume	3947.3 ± 1.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.1121
Residual factor for significantly intense reflections	0.0904
Weighted residual factors for significantly intense reflections	0.2491
Weighted residual factors for all reflections included in the refinement	0.2694
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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