Crystallography Open Database

Information card for entry 7708200

Preview

Coordinates	7708200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H53 N
Calculated formula	C54.5 H53 N
SMILES	N(c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(Cc1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)CCCC.c1c(cccc1)C
Title of publication	On the edge of the steric repulsion and reactivity of bulky anilines; a case study of chloro(imino)phosphine synthesis
Authors of publication	Vrána, Jan; Němec, Vlastimil; Samsonov, Maksim Andreevich; Růžička, Aleš
Journal of publication	Dalton Transactions
Year of publication	2021
a	13.659 ± 0.0009 Å
b	14.2712 ± 0.0008 Å
c	21.5396 ± 0.0014 Å
α	88.277 ± 0.002°
β	79.673 ± 0.002°
γ	85.386 ± 0.002°
Cell volume	4116.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0906
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1322
Weighted residual factors for all reflections included in the refinement	0.1497
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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