Crystallography Open Database

Information card for entry 4125453

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Structure parameters

Formula	C32 H27 Br O6
Calculated formula	C32 H27 Br O6
SMILES	Brc1c([C@H]2[C@]3(c4cccc(OC)c4C(=O)C=C3)c3c4c(c(OC)cc3)c(OC)ccc24)cc(OC)cc1OC
Title of publication	Efficient Enantioselective Syntheses of (+)-Dalesconol A and B.
Authors of publication	Zhao, Guoqing; Xu, Guangqing; Qian, Chao; Tang, Wenjun
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	9
Pages of publication	3360 - 3363
a	10.4158 ± 0.0003 Å
b	12.3181 ± 0.0004 Å
c	20.3632 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2612.66 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0628
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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