Crystallography Open Database

Information card for entry 1554265

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Structure parameters

Chemical name	{4-[3-Ethoxy-2-(methoxymethoxy)phenyl]-2-phenyl-4,5-dihydrofuran-3-yl}(phenyl)methanone
Formula	C27 H26 O5
Calculated formula	C27 H26 O5
SMILES	O=C(C1=C(OCC1c1c(OCOC)c(OCC)ccc1)c1ccccc1)c1ccccc1
Title of publication	Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans
Authors of publication	Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.
Journal of publication	Organic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	10
Pages of publication	1655
a	7.1922 ± 0.0006 Å
b	9.9323 ± 0.0008 Å
c	16.0391 ± 0.0013 Å
α	78.066 ± 0.001°
β	84.732 ± 0.001°
γ	86.302 ± 0.001°
Cell volume	1115.04 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0562
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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