Crystallography Open Database

Information card for entry 3000619

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Structure parameters

Formula	C30 H36 B N O4
Calculated formula	C22 H18 B O4
Title of publication	Crystalline 3D covalent organic frameworks with nbo topology
Authors of publication	Soshi Hirota; Haruki Sugiyama; Nao Hirata; Sachiko Nakano; Junichi Usuba; Yuh Hijikata; Ryotaro Matsuda; Takanori Nakane; Akihiro Kawamoto; Genji Kurisu; Yasutomo Segawa
Journal of publication	Science Advances
Year of publication	2026
Pages of publication	aeg6230
a	25.2887 ± 0.0003 Å
b	25.2887 ± 0.0003 Å
c	25.2887 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	16172.6 ± 0.3 Å³
Cell temperature	79 K
Ambient diffraction temperature	79 K
Number of distinct elements	5
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.125
Residual factor for significantly intense reflections	0.1215
Weighted residual factors for significantly intense reflections	0.3356
Weighted residual factors for all reflections included in the refinement	0.3386
Goodness-of-fit parameter for all reflections included in the refinement	1.3807
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.02508 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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