Crystallography Open Database

Information card for entry 1520663

1520662 << 1520663 >> 1520664

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Coordinates	1520663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 O
Calculated formula	C28 H34 O
SMILES	O(c1c(cc(cc1C(=C=C1CC1)c1ccccc1)C(C)(C)C)C(C)(C)C)CC=C
Title of publication	Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes
Authors of publication	Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5519
a	23.302 ± 0.004 Å
b	11.4445 ± 0.0017 Å
c	18.904 ± 0.003 Å
α	90°
β	104.415 ± 0.006°
γ	90°
Cell volume	4882.6 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1226
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1756
Weighted residual factors for all reflections included in the refinement	0.21
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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