Crystallography Open Database

Information card for entry 1100676

Preview

Coordinates	1100676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H16 Br N
Calculated formula	C11 H16 Br N
Title of publication	Molecular Structure and Absolute Configuration of 1-Benzyl-(+)-2- methylazetidine Hydrobromide
Authors of publication	Kobayashi, Kimiko; Sassa, Masashi; Yajima, Keiji; Tsuboyama, Sei; Enomoto, Kouichiro; Miyamae, Hiroshi
Journal of publication	Analytical Sciences: X-ray Structure Analysis Online
Year of publication	2003
Journal volume	19
Pages of publication	x53 - x54
a	6.1468 ± 0.0005 Å
b	10.7412 ± 0.0005 Å
c	9.0572 ± 0.0006 Å
α	90°
β	103.665 ± 0.003°
γ	90°
Cell volume	581.07 ± 0.07 Å³
Cell temperature	296.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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