Crystallography Open Database

Information card for entry 8107109

Preview

Coordinates	8107109.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(4–(2–phenylpentan–2–yl)phenyl)Amine
Formula	C30 H31 N
Calculated formula	C30 H31 N
SMILES	N(c1ccc(cc1)C(C)(C)c1ccccc1)c1ccc(cc1)C(C)(C)c1ccccc1
Title of publication	Crystal structure of bis(4-(2-phenylpropan-2-yl)phenyl)amine, C30H31N
Authors of publication	Wang, Limin; Wang, Shengpei; Liu, Shenggao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1089 - 1090
a	8.9828 ± 0.0011 Å
b	10.1648 ± 0.0012 Å
c	13.2961 ± 0.0015 Å
α	81.273 ± 0.002°
β	72.201 ± 0.002°
γ	82.271 ± 0.002°
Cell volume	1137.5 ± 0.2 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.0994
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282804 (current)	2023-04-24	cif/ Adding structures of 8107109 via cif-deposit CGI script.	8107109.cif