Crystallography Open Database

Information card for entry 8106956

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Coordinates	8106956.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-[5-(2-formylphenoxy)pentoxy]benzaldehyde)
Chemical name	2,2'-[pentane-1,5-diylbis(oxy)]dibenzaldehyde
Formula	C19 H20 O4
Calculated formula	C19 H20 O4
Title of publication	Crystal structure of 2,2′-[pentane-1,5-diylbis(oxy)]dibenzaldehyde, C19H20O4
Authors of publication	Balić, Tomislav; Marković, Berislav
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	619 - 621
a	16.5979 ± 0.0005 Å
b	8.5654 ± 0.0002 Å
c	11.8418 ± 0.0004 Å
α	90°
β	108.537 ± 0.004°
γ	90°
Cell volume	1596.18 ± 0.09 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282007 (current)	2023-03-23	cif/ Adding structures of 8106956 via cif-deposit CGI script.	8106956.cif