Crystallography Open Database

Information card for entry 8104683

Preview

Coordinates	8104683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 N4
Calculated formula	C22 H24 N4
Title of publication	Redetermination of the crystal structure of (2E,4Z,13E,15Z)-3,5,14,16-tetramethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene, C22H24N4
Authors of publication	Dey, Lucky; Rabi, Saswata; Begum, Zinnat A.; Takase, Tsugiko; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	5
Pages of publication	1121 - 1124
a	9.217 ± 0.004 Å
b	9.774 ± 0.004 Å
c	10.843 ± 0.004 Å
α	96.77 ± 0.002°
β	101.791 ± 0.005°
γ	105.873 ± 0.003°
Cell volume	903.9 ± 0.6 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273526 (current)	2022-03-08	cif/ Adding structures of 8104683 via cif-deposit CGI script.	8104683.cif