Crystallography Open Database

Information card for entry 2216022

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Structure parameters

Chemical name	2-Benzylidene-2,3-dihydro-1H-benzo[f]chromen-1-one
Formula	C20 H14 O2
Calculated formula	C20 H14 O2
SMILES	c1(ccccc1)/C=C\1C(=O)c2c3ccccc3ccc2OC1
Title of publication	2-Benzylidene-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one
Authors of publication	A. Marx; V. Manivannan; R. Suresh; Charles Christopher Kanagam; Büyükgüngör, Orhan
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	11
Pages of publication	o4383 - o4383
a	12.3567 ± 0.0006 Å
b	11.2675 ± 0.0005 Å
c	20.4103 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2841.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0584
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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