Crystallography Open Database

Information card for entry 4116752

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Coordinates	4116752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 Br N3
Calculated formula	C15 H16 Br 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	13.034 ± 0.003 Å
b	13.216 ± 0.004 Å
c	9.711 ± 0.002 Å
α	91.85 ± 0.02°
β	94.99 ± 0.02°
γ	65.14 ± 0.01°
Cell volume	1512 ± 0.7 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 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	0.079
Weighted residual factors for significantly intense reflections	0.1
Goodness-of-fit parameter for significantly intense reflections	5.87
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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