Crystallography Open Database

Information card for entry 7128794

Preview

Coordinates	7128794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H113 N8 O12
Calculated formula	C126 H113 N8 O12
Title of publication	Self-assembly of chiral BINOL cages <i>via</i> imine condensation.
Authors of publication	Ramakrishna, E.; Tang, Jia-Dong; Tao, Jia-Ju; Fang, Qiang; Zhang, Zibin; Huang, Jianying; Li, Shijun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	72
Pages of publication	9088 - 9091
a	16.0819 ± 0.0006 Å
b	25.9667 ± 0.0008 Å
c	17.0515 ± 0.0006 Å
α	90°
β	117.912 ± 0.002°
γ	90°
Cell volume	6292.2 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1723
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269665 (current)	2021-10-06	cif/ Updating files of 7128794 Original log message: Adding full bibliography for 7128794.cif.	7128794.cif
268032	2021-08-12	cif/ Adding structures of 7128794 via cif-deposit CGI script.	7128794.cif