Crystallography Open Database

Information card for entry 1576584

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Coordinates	1576584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H58 B30 Cl2
Calculated formula	C44 H58 B30 Cl2
Title of publication	Guest-induced emission enhancement in the permanent porous conjugated carboracycle crystal.
Authors of publication	Yuhara, Kazuhiro; Takemori, Sota; Yanagihara, Takumi; Ohtani, Shunsuke; Ogoshi, Tomoki; Tanaka, Kazuo
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	7
Pages of publication	3691 - 3699
a	7.245 ± 0.0012 Å
b	31.353 ± 0.005 Å
c	23.751 ± 0.004 Å
α	90°
β	91.88 ± 0.003°
γ	90°
Cell volume	5392.2 ± 1.5 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1374
Residual factor for significantly intense reflections	0.1211
Weighted residual factors for significantly intense reflections	0.3743
Weighted residual factors for all reflections included in the refinement	0.3971
Goodness-of-fit parameter for all reflections included in the refinement	1.586
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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