Crystallography Open Database

Information card for entry 7130774

Preview

Coordinates	7130774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 N10 O S3
Calculated formula	C34 H52 N10 O S3
Title of publication	Triazine based eccentric Piedfort units towards a single source hydrogen bonded network
Authors of publication	Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Butcher, R. J.; Angamuthu, Raja
Journal of publication	Chemical Communications
Year of publication	2022
a	17.0555 ± 0.0007 Å
b	21.6567 ± 0.0008 Å
c	23.7689 ± 0.0009 Å
α	81.058 ± 0.001°
β	79.58 ± 0.001°
γ	66.891 ± 0.001°
Cell volume	7907.1 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1826
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7130774.html