Crystallography Open Database

Information card for entry 2009396

2009395 << 2009396 >> 2009397

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Coordinates	2009396.cif
Original IUCr paper	HTML

Structure parameters

Formula	C31 H51 N O6 S
Calculated formula	C62 H102 N2 O12 S2
Title of publication	A chiral tetrahydro-γ-pyranonecarboxylate ester for asymmetric Nazarov cyclization
Authors of publication	Bond, C.S.; Leonard, G.A.; Regan, A.C.; Hunter, W.N.; Andrews, J.F.P.
Journal of publication	Acta Crystallographica Section C
Year of publication	1994
Journal volume	50
Journal issue	1
Pages of publication	133 - 136
a	11.534 ± 0.006 Å
b	22.224 ± 0.008 Å
c	13.295 ± 0.009 Å
α	90°
β	108.09 ± 0.05°
γ	90°
Cell volume	3239 ± 3 Å³
Cell temperature	294 ± 1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.08
Goodness-of-fit parameter for significantly intense reflections	1.33
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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