Crystallography Open Database

Information card for entry 4020586

4020585 << 4020586 >> 4020587

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Structure parameters

Formula	C15 H17 N O4
Calculated formula	C15 H17 N O4
SMILES	O1C2(c3c(C1=O)ccnc3)CCC(CC2)C(=O)OCC
Title of publication	Practical Synthesis of a Neuropeptide Y Antagonist via Stereoselective Addition to a Ketene
Authors of publication	Takehiko Iida; Hiroki Satoh; Kenji Maeda; Yuhei Yamamoto; Ken-ichi Asakawa; Naotaka Sawada; Toshihiro Wada; Chie Kadowaki; Takahiro Itoh; Toshiaki Mase; Steven A. Weissman; Dave Tschaen; Shane Krska; R. P. Volante
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	9222 - 9229
a	7.034 ± 0.002 Å
b	12.941 ± 0.004 Å
c	15.164 ± 0.005 Å
α	90°
β	98.235 ± 0.005°
γ	90°
Cell volume	1366 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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