Crystallography Open Database

Information card for entry 4519236

4519235 << 4519236 >> 4519237

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Coordinates	4519236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H56 O2
Calculated formula	C62 H56 O2
Title of publication	Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions
Authors of publication	Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung
Journal of publication	ACS Catalysis
Year of publication	2021
Pages of publication	536 - 543
a	12.4891 ± 0.0006 Å
b	10.8641 ± 0.0004 Å
c	18.442 ± 0.0008 Å
α	90°
β	108.646 ± 0.005°
γ	90°
Cell volume	2370.92 ± 0.19 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.2052
Weighted residual factors for all reflections included in the refinement	0.206
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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