Crystallography Open Database

Information card for entry 1505664

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Structure parameters

Formula	C27 H24 O6 S
Calculated formula	C27 H24 O6 S
SMILES	S(=O)(=O)(c1cc2c(cc1)CCc1c2ccc2c1CC(C2)(C(=O)OC)C(=O)OC)c1ccccc1
Title of publication	Rh-catalyzed triple allene approach to bicyclo[4.4.0]decene derivatives and its application for the stepwise synthesis of steroid-like tetracyclic skeletons.
Authors of publication	Lu, Ping; Ma, Shengming
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	25
Pages of publication	5319 - 5321
a	9.3539 ± 0.0011 Å
b	8.0181 ± 0.0009 Å
c	31.277 ± 0.004 Å
α	90°
β	97.27 ± 0.002°
γ	90°
Cell volume	2326.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1305
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	0.775
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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