Crystallography Open Database

Information card for entry 1556116

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Coordinates	1556116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.5 H26 N O4.5 S
Calculated formula	C24.5 H26 N O4.5 S
Title of publication	Rhodium-catalyzed asymmetric one-pot transesterification and [2 + 2 + 2] cycloaddition leading to enantioenriched 3,3-disubstituted phthalides.
Authors of publication	Tanaka, Ken; Osaka, Takuya; Noguchi, Keiichi; Hirano, Masao
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	7
Pages of publication	1307 - 1310
a	25.446 ± 0.002 Å
b	5.8028 ± 0.0006 Å
c	16.3488 ± 0.0015 Å
α	90°
β	110.637 ± 0.006°
γ	90°
Cell volume	2259.1 ± 0.4 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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