Crystallography Open Database

Information card for entry 7157265

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Structure parameters

Formula	C28 H36 O4
Calculated formula	C28 H36 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	7.7797 ± 0.0003 Å
b	13.9645 ± 0.0007 Å
c	21.3823 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2322.96 ± 0.18 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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