Crystallography Open Database

Information card for entry 2005165

2005164 << 2005165 >> 2005166

Preview

Coordinates	2005165.cif
Original IUCr paper	HTML

Structure parameters

Common name	Chromen
Chemical name	1,3,3-triphenyl-[3H]-naphto[2,1-b]pyrane
Formula	C31 H22 O
Calculated formula	C31 H22 O
SMILES	c1ccc(cc1)C1=CC(Oc2c1c1ccccc1cc2)(c1ccccc1)c1ccccc1
Title of publication	Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes
Authors of publication	Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	7
Pages of publication	1834 - 1838
a	12.554 ± 0.008 Å
b	10.631 ± 0.007 Å
c	17.393 ± 0.009 Å
α	90°
β	106.12 ± 0.02°
γ	90°
Cell volume	2230 ± 2 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	0.226
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections	0.226
Weighted residual factors for significantly intense reflections	0.051
Goodness-of-fit parameter for all reflections	1.16
Goodness-of-fit parameter for significantly intense reflections	1.701
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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