Crystallography Open Database

Information card for entry 4116750

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Coordinates	4116750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 N3
Calculated formula	C14 H15 N3
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	11.212 ± 0.002 Å
b	12.757 ± 0.002 Å
c	9.281 ± 0.001 Å
α	90°
β	112.21 ± 0.01°
γ	90°
Cell volume	1229 ± 0.3 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.064
Goodness-of-fit parameter for significantly intense reflections	6.69
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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