Crystallography Open Database

Information card for entry 4038503

Preview

Coordinates	4038503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 N2
Calculated formula	C38 H32 N2
SMILES	N([C@@H]([C@@H](Nc1ccccc1c1ccccc1)c1ccccc1)c1ccccc1)c1c(c2ccccc2)cccc1
Title of publication	Distinctive reactivity of <i>N</i>-benzylidene-[1,1'-biphenyl]-2-amines under photoredox conditions.
Authors of publication	Tambe, Shrikant D.; Min, Kwan Hong; Iqbal, Naeem; Cho, Eun Jin
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2020
Journal volume	16
Pages of publication	1335 - 1342
a	9.5001 ± 0.0003 Å
b	10.163 ± 0.0003 Å
c	15.8945 ± 0.0006 Å
α	101.392 ± 0.003°
β	102.647 ± 0.003°
γ	100.795 ± 0.003°
Cell volume	1424.6 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0726
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1917
Weighted residual factors for all reflections included in the refinement	0.2008
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
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
302047 (current)	2025-09-07	cif/4: Fixing Z values and formulae	4038503.cif
254025	2020-07-06	cif/ Updating files of 4038503 Original log message: Adding full bibliography for 4038503.cif.	4038503.cif
253268	2020-06-19	cif/ Adding structures of 4038503 via cif-deposit CGI script.	4038503.cif