Crystallography Open Database

Information card for entry 8107529

Preview

Coordinates	8107529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 N4
Calculated formula	C32 H28 N4
Title of publication	Redetermination of the crystal structure of 5,14-dihydro-6,17-dimethyl-8,15-diphenyldibenzo(b,i)(1,4,8,11)tetra-azacyclotetradecine, C32H28N4
Authors of publication	Dey, Lucky; Rabi, Saswata; Palit, Debashis; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	4
Pages of publication	679 - 682
a	17.7218 ± 0.0004 Å
b	20.7769 ± 0.0005 Å
c	14.9434 ± 0.0003 Å
α	90°
β	113.598 ± 0.003°
γ	90°
Cell volume	5042.1 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	3
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	0.0659
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286498 (current)	2023-09-25	cif/ Adding structures of 8107529 via cif-deposit CGI script.	8107529.cif