Crystallography Open Database

Information card for entry 2311603

Preview

Coordinates	2311603.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)- <i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol
Formula	C38 H48 N O P
Calculated formula	C38 H48 N O P
Title of publication	Multiple intramolecular hydrogen bonds in 2,4-di-tert-butyl-6-[N-(2,6-diisopropylphenyl)-P,P-diphenylphosphorimidoyl]phenol.
Authors of publication	Lee, Jong Dae; Suh, Il Hwan; Kang, Sang Ook
Journal of publication	Acta crystallographica. Section C, Crystal structure communications
Year of publication	2011
Journal volume	67
Journal issue	Pt 5
Pages of publication	o151 - 3
a	9.4999 ± 0.0015 Å
b	11.9323 ± 0.0019 Å
c	15.247 ± 0.003 Å
α	88.658 ± 0.003°
β	76.925 ± 0.003°
γ	89.38 ± 0.003°
Cell volume	1683 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
246018 (current)	2019-12-26	cif/ Adding structures of 2311603 via cif-deposit CGI script.	2311603.cif