Crystallography Open Database

Information card for entry 7129579

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Coordinates	7129579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C348 H296 N12 O48
Calculated formula	C348 H296 N12 O48
Title of publication	Synthesis of a Large-Cavity Carbazole Macrocycle for Size-Dependent Recognition
Authors of publication	Dong, Ming; Liu, Xiu; Zhang, Zhi-Yuan; Yu, Cheng-Mao; Huo, Bochao; Li, Chunju
Journal of publication	Chemical Communications
Year of publication	2022
a	65.655 ± 0.006 Å
b	65.655 ± 0.006 Å
c	18.9177 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	81546 ± 13 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.1756
Residual factor for significantly intense reflections	0.1171
Weighted residual factors for significantly intense reflections	0.2802
Weighted residual factors for all reflections included in the refinement	0.2985
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.77485 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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