Crystallography Open Database

Information card for entry 7235512

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Coordinates	7235512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 N2 O5
Calculated formula	C25 H26 N2 O5
Title of publication	Synthesis of (−)-epibatidine
Authors of publication	Chiou, Wen-Hua; Chiang, Yu-Min
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	22
Pages of publication	11444
a	8.2328 ± 0.0002 Å
b	12.2627 ± 0.0002 Å
c	21.8139 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2202.25 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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