Crystallography Open Database

Information card for entry 7152478

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Coordinates	7152478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H81 Br2 Cu2 Fe2 N3 P4
Calculated formula	C88 H81 Br2 Cu2 Fe2 N3 P4
Title of publication	Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.
Authors of publication	Ou, Jun; Wong, Wing-Tak; Chiu, Pauline
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	30
Pages of publication	5971 - 5978
a	9.3018 ± 0.0003 Å
b	16.8469 ± 0.0005 Å
c	25.9616 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4068.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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