Crystallography Open Database

Information card for entry 2023236

2023235 << 2023236 >> 2023237

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Coordinates	2023236.cif
Original IUCr paper	HTML

Structure parameters

Common name	Organic
Chemical name	(2<i>E</i>)-1-[3,5-Bis(benzyloxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one
Formula	C31 H28 O4
Calculated formula	C31 H28 O4
SMILES	O(CC)c1ccc(cc1)/C=C/C(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
Title of publication	Synthesis and crystal structure of (2E)-1-[3,5-bis(benzyloxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one
Authors of publication	Jeyashri, K. R.; Logeshwari, G.; Rajapandiyan, U.; Sivakumar, K.; Selvanayagam, S.; Manikandan, H.; Kaviyarasu, K.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	9
a	9.0494 ± 0.0009 Å
b	10.0326 ± 0.0011 Å
c	14.6932 ± 0.0015 Å
α	100.153 ± 0.003°
β	107.292 ± 0.003°
γ	90.789 ± 0.004°
Cell volume	1250.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0881
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294021 (current)	2024-08-07	cif/ Adding structures of 2023236 via cif-deposit CGI script.	2023236.cif