Crystallography Open Database

Information card for entry 7132909

Preview

Coordinates	7132909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44 O10
Calculated formula	C44 H44 O10
Title of publication	Coronenes with push-pull geometries from macrocycle-forming Perkin condensations.
Authors of publication	Soliman, Luc; Ramassamy, Elsa; Dujarric, Katia; Naulet, Guillaume; Dechambenoit, Pierre; Bock, Harald; Durola, Fabien
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	33
Pages of publication	4439 - 4442
a	15.186 ± 0.002 Å
b	15.823 ± 0.002 Å
c	16.474 ± 0.002 Å
α	69.815 ± 0.005°
β	88.884 ± 0.006°
γ	81.886 ± 0.006°
Cell volume	3676.4 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1627
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.2153
Weighted residual factors for all reflections included in the refinement	0.2602
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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