Crystallography Open Database

Information card for entry 7128063

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Coordinates	7128063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H72 S12
Calculated formula	C92 H72 S12
Title of publication	Three dimensional isophlorinoid tetrapodal molecular cage.
Authors of publication	Basavarajappa, Ashokkumar; Ambhore, Madan D.; Anand, Venkataramanarao G.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	35
Pages of publication	4299 - 4302
a	13.11 ± 0.03 Å
b	25.03 ± 0.06 Å
c	28.95 ± 0.07 Å
α	90°
β	90.27 ± 0.03°
γ	90°
Cell volume	9500 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2137
Residual factor for significantly intense reflections	0.1378
Weighted residual factors for significantly intense reflections	0.3345
Weighted residual factors for all reflections included in the refinement	0.3744
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	Yes
Has F_obs	No

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