Crystallography Open Database

Information card for entry 4116751

Preview

Coordinates	4116751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.5 H21.5 N3 O0.5
Calculated formula	C16.5 H19.5 N3 O0.5
Title of publication	N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures
Authors of publication	Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	6433 - 6442
a	11.59 ± 0.005 Å
b	16.44 ± 0.02 Å
c	8.32 ± 0.004 Å
α	97.21 ± 0.07°
β	90.73 ± 0.03°
γ	77.5 ± 0.07°
Cell volume	1535 ± 2 Å³
Cell temperature	288.2 K
Ambient diffraction temperature	288.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.097
Weighted residual factors for significantly intense reflections	0.127
Goodness-of-fit parameter for significantly intense reflections	3.87
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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