Crystallography Open Database

Information card for entry 7134752

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Coordinates	7134752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 Cl2 O2
Calculated formula	C25 H18 Cl2 O2
Title of publication	Acid-triggered cascade cyclization pathways of enynes: A rapid access to fused polycyclic products.
Authors of publication	Goel, Komal; Shree V, Divya; Satyanarayana, Gedu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	61
Pages of publication	11457 - 11460
a	9.6407 ± 0.0005 Å
b	9.9098 ± 0.0005 Å
c	12.2951 ± 0.0007 Å
α	97.191 ± 0.002°
β	112.732 ± 0.002°
γ	106.874 ± 0.002°
Cell volume	998.56 ± 0.1 Å³
Cell temperature	133 K
Ambient diffraction temperature	133 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	0.0408
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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