Crystallography Open Database

Information card for entry 1553219

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Structure parameters

Formula	C20 H28 O2 Si
Calculated formula	C20 H28 O2 Si
SMILES	[Si](OCc1cc2C3=C(CCCC3)C(=O)c2cc1)(C)(C)C(C)(C)C
Title of publication	A photo-induced C–C bond formation methodology to construct tetrahydrofluorenones and their related structures
Authors of publication	Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	3
Pages of publication	354
a	7.5687 ± 0.0005 Å
b	30.831 ± 0.002 Å
c	8.0907 ± 0.0006 Å
α	90°
β	90.916 ± 0.002°
γ	90°
Cell volume	1887.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1553219.cif
233715	2019-11-23	cif/ Adding structures of 1553219, 1553220, 1553221, 1553222 via cif-deposit CGI script.	1553219.cif