Crystallography Open Database

Information card for entry 7133659

Preview

Coordinates	7133659.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3,3-dimethyl-1,5,7-trioxadispiro[5.1.58.26]pentadeca-9,12,14-trien-11-one
Formula	C28 H32 O8
Calculated formula	C28 H32 O8
Title of publication	Synthesis of Dispiro-Orthoester via an Acetal Oxo-Carbenium Ion
Authors of publication	Kumar, Manoj; Singh, Shubham; Subramanian, Parthasarathi
Journal of publication	Chemical Communications
Year of publication	2024
a	27.5396 ± 0.0008 Å
b	5.7677 ± 0.0001 Å
c	20.9082 ± 0.0006 Å
α	90°
β	129.818 ± 0.002°
γ	90°
Cell volume	2550.85 ± 0.14 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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