Crystallography Open Database

Information card for entry 7133655

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Coordinates	7133655.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Manoj
Formula	C26 H28 O8
Calculated formula	C26 H28 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	11.6135 ± 0.0004 Å
b	5.8166 ± 0.0002 Å
c	16.6086 ± 0.0005 Å
α	90°
β	92.064 ± 0.001°
γ	90°
Cell volume	1121.2 ± 0.06 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	3
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	0.0443
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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