Crystallography Open Database

Information card for entry 7133070

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Coordinates	7133070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H97 Cl3 O4
Calculated formula	C107 H97 Cl3 O4
Title of publication	Synthesis of sterically congested double helicene by alkyne cycloisomerization
Authors of publication	Hirano, Junichiro; Miyoshi, Sayaka; Yashima, Eiji; Ikai, Tomoyuki; Shinokubo, Hiroshi; Fukui, Norihito
Journal of publication	Chemical Communications
Year of publication	2024
a	10.8817 ± 0.0003 Å
b	15.6992 ± 0.0004 Å
c	25.2074 ± 0.0006 Å
α	92.731 ± 0.002°
β	92.591 ± 0.002°
γ	108.886 ± 0.002°
Cell volume	4061.44 ± 0.19 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.1577
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.2077
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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