Crystallography Open Database

Information card for entry 4033415

Preview

Coordinates	4033415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 O8
Calculated formula	C26 H24 O8
SMILES	O(C)c1ccc(cc1)C(=O)C1(OC(=O)c2cc(OC)cc(OC)c12)c1cc(OC)cc(OC)c1
Title of publication	Skeletal Reorganization: Synthesis of Diptoindonesin G from Pauciflorol F.
Authors of publication	Singh, Dileep Kumar; Kim, Ikyon
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	3
Pages of publication	1667 - 1672
a	8.778 ± 0.0006 Å
b	9.5962 ± 0.0006 Å
c	15.1276 ± 0.0011 Å
α	88.947 ± 0.003°
β	74.264 ± 0.003°
γ	67.765 ± 0.003°
Cell volume	1130.23 ± 0.14 Å³
Cell temperature	304.6 K
Ambient diffraction temperature	304.6 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	0.1324
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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