Crystallography Open Database

Information card for entry 7133231

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Coordinates	7133231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H17 Cl O5
Calculated formula	C24 H17 Cl O5
Title of publication	An organocatalytic domino annulation approach <i>via</i> C(sp<sup>2</sup>)-OMe cleavage to unlock the synthesis of pyranochromenones enabled by HFIP.
Authors of publication	Singh, Sanjay; Sharma, Pragya; Dutta, Sayantan; Vishwakarma, Rahul; Hazra, Chinmoy K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
a	7.3859 ± 0.0013 Å
b	10.8372 ± 0.0018 Å
c	12.379 ± 0.002 Å
α	101.327 ± 0.005°
β	97.246 ± 0.006°
γ	92.314 ± 0.006°
Cell volume	961.6 ± 0.3 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.0964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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