Crystallography Open Database

Information card for entry 7157268

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Coordinates	7157268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 O2
Calculated formula	C34 H52 O2
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	8.4637 ± 0.0004 Å
b	7.4511 ± 0.0003 Å
c	47.1253 ± 0.0017 Å
α	90°
β	90.048 ± 0.004°
γ	90°
Cell volume	2971.9 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 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	0.0492
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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