Crystallography Open Database

Information card for entry 4026154

Preview

Coordinates	4026154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 N O5
Calculated formula	C19 H23 N O5
SMILES	O1[C@H]2C3(OCCO3)CC[C@]3(O)N4CC[C@]23c2c(CC4)ccc(OC)c12
Title of publication	Synthesis of (-)-Homogalanthamine from Naltrexone
Authors of publication	Naoshi Yamamoto; Hideaki Fujii; Satomi Imaide; Shigeto Hirayama; Toru Nemoto; Junji Inokoshi; Hiroshi Tomoda; Hiroshi Nagase
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	2257 - 2260
a	7.74851 ± 0.00016 Å
b	26.2071 ± 0.0006 Å
c	8.18444 ± 0.00017 Å
α	90°
β	93.43 ± 0.0014°
γ	90°
Cell volume	1659 ± 0.06 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.0319
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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