Crystallography Open Database

Information card for entry 7158229

Preview

Coordinates	7158229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 B N2 O5
Calculated formula	C21 H19 B N2 O5
Title of publication	Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules
Authors of publication	Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2021
Journal volume	19
Journal issue	34
Pages of publication	7369 - 7373
a	14.507 ± 0.003 Å
b	9.3436 ± 0.0017 Å
c	14.134 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1915.8 ± 0.7 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	5
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.8104 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7158229.html