Crystallography Open Database

Information card for entry 7155434

Preview

Coordinates	7155434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 O5
Calculated formula	C23 H32 O5
Title of publication	Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.
Authors of publication	Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam
Journal of publication	Organic & biomolecular chemistry
Year of publication	2017
Journal volume	15
Journal issue	5
Pages of publication	1115 - 1121
a	11.734 ± 0.005 Å
b	7.397 ± 0.005 Å
c	12.645 ± 0.005 Å
α	90 ± 0.005°
β	107.317 ± 0.005°
γ	90 ± 0.005°
Cell volume	1047.8 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.1932
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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