Crystallography Open Database

Information card for entry 1576014

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Coordinates	1576014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C408 H456 B12 O12
Calculated formula	C408 H456 B12 O12
Title of publication	Expanded segments of three-dimensional carbonaceous nets with chirality: synthesis and structures.
Authors of publication	Fukunaga, Toshiya M.; Takaba, Kiyofumi; Yoshida, Satoshi; Maki-Yonekura, Saori; Yonekura, Koji; Isobe, Hiroyuki
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	42
Pages of publication	19594 - 19600
a	23.17 ± 0.02 Å
b	25.09 ± 0.03 Å
c	42.23 ± 0.04 Å
α	92.43 ± 0.05°
β	105.74 ± 0.05°
γ	117.31 ± 0.05°
Cell volume	20592 ± 4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 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	0.5573
Residual factor for significantly intense reflections	0.4576
Weighted residual factors for significantly intense reflections	0.7758
Weighted residual factors for all reflections included in the refinement	0.8198
Goodness-of-fit parameter for all reflections included in the refinement	2.759
Diffraction radiation wavelength	0.01968 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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