Crystallography Open Database

Information card for entry 2241219

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Structure parameters

Chemical name	(<i>E</i>)-1,3-Bis(6-methoxynaphthalen-2-yl)prop-2-en-1-one
Formula	C25 H20 O3
Calculated formula	C25 H20 O3
Title of publication	Crystal structure of (<i>E</i>)-1,3-bis(6-methoxynaphthalen-2-yl)prop-2-en-1-one
Authors of publication	Patel, Paresh N.; Chadha, Anju
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	11
Pages of publication	o884 - o885
a	6.027 ± 0.005 Å
b	19.926 ± 0.005 Å
c	15.415 ± 0.005 Å
α	90 ± 0.005°
β	90.366 ± 0.005°
γ	90 ± 0.005°
Cell volume	1851.2 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1356
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1557
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2241219.cif 2241219.hkl
181913	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12.	2241219.cif 2241219.hkl
169814	2015-10-29	cif/ hkl/ Adding structures of 2241219 via cif-deposit CGI script.	2241219.cif 2241219.hkl