Crystallography Open Database

Information card for entry 2007331

2007330 << 2007331 >> 2007332

Preview

Coordinates	2007331.cif
Original IUCr paper	HTML

Structure parameters

Common name	14-O-Benzoyl-8-methoxy- and 14-O-Benzoyl-8-ethoxy- Bikhaconines
Chemical name	[1α,6α,14α,16β]-20-ethyl-1,6,16-trimethoxy-4-methoxymethyl- 13-hydroxyaconitane-8,14-diyl 8-methoxy 14-benzoate and [1α,6α,14α,16β]-20-ethyl-1,6,16-trimethoxy-4-methoxymethyl- 13-hydroxyaconitane-8,14-diyl 8-ethoxy 14-benzoate.
Formula	C33.35 H47.7 N O8
Calculated formula	C33.35 H47.7 N O8
Title of publication	14-<i>O</i>-Benzoyl-8-ethoxybikhaconine and 14-<i>O</i>-Benzoyl-8-methoxybikhaconine
Authors of publication	Parvez, Masood; Gul, Waseem; Anwar, Saeed
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	6
Pages of publication	790 - 792
a	9.938 ± 0.004 Å
b	11.876 ± 0.005 Å
c	13.611 ± 0.005 Å
α	90°
β	91.96 ± 0.01°
γ	90°
Cell volume	1605.5 ± 1.1 Å³
Cell temperature	293 ± 1 K
Ambient diffraction temperature	293 ± 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 all reflections	0.067
Residual factor for significantly intense reflections	0.062
Weighted residual factors for all reflections	0.171
Weighted residual factors for significantly intense reflections	0.161
Goodness-of-fit parameter for all reflections	1.009
Goodness-of-fit parameter for significantly intense reflections	0.99
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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