Crystallography Open Database

Information card for entry 7053701

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Coordinates	7053701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H41.5 N6.5 O
Calculated formula	C42 H41.5 N6.5 O
Title of publication	Anion recognition by N-confused calix[4]pyrrole-α-carbaldehyde and its Knoevenagel reaction derivatives
Authors of publication	Dehaen, Wim; Gale, Philip A.; García-Garrido, Sergio E.; Kostermans, Maarten; Light, Mark E.
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	5
Pages of publication	691
a	19.7663 ± 0.0015 Å
b	11.8837 ± 0.0008 Å
c	15.7559 ± 0.0014 Å
α	90°
β	106.807 ± 0.004°
γ	90°
Cell volume	3542.9 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.2209
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for significantly intense reflections	0.2159
Weighted residual factors for all reflections included in the refinement	0.2756
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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