Crystallography Open Database

Information card for entry 7157267

Preview

Coordinates	7157267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H48 O4
Calculated formula	C34 H48 O4
Title of publication	Palladium catalyzed synthesis of benzannulated steroid spiroketals.
Authors of publication	Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	4
Pages of publication	725 - 737
a	21.7423 ± 0.0015 Å
b	7.1223 ± 0.0005 Å
c	19.5816 ± 0.0014 Å
α	90°
β	101.416 ± 0.007°
γ	90°
Cell volume	2972.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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