Crystallography Open Database

Information card for entry 7242213

Preview

Coordinates	7242213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H50 Br4 N8 O4
Calculated formula	C56 H50 Br4 N8 O4
Title of publication	Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles
Authors of publication	Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	7
Pages of publication	1539 - 1543
a	7.6814 ± 0.0017 Å
b	14.159 ± 0.003 Å
c	22.547 ± 0.005 Å
α	90°
β	91.184 ± 0.006°
γ	90°
Cell volume	2451.7 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
262588 (current)	2021-03-05	cif/ Updating files of 7242212, 7242213, 7242214, 7242215 Original log message: Adding full bibliography for 7242212--7242215.cif.	7242213.cif
261365	2021-02-02	cif/ Adding structures of 7242212, 7242213, 7242214, 7242215 via cif-deposit CGI script.	7242213.cif