Crystallography Open Database

Information card for entry 4023521

Preview

Coordinates	4023521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 O5
Calculated formula	C21 H22 O5
Title of publication	Gold(I)-Catalyzed Cycloisomerization of 1,7- and 1,8-Enynes: Application to the Synthesis of a New Allocolchicinoid
Authors of publication	François-Didier Boyer; Xavier LeGoff; Issam Hanna
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	5163 - 5166
a	7.295 ± 0.001 Å
b	10.343 ± 0.001 Å
c	12.38 ± 0.001 Å
α	101.076 ± 0.001°
β	103.489 ± 0.001°
γ	97.397 ± 0.001°
Cell volume	876.55 ± 0.16 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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