Crystallography Open Database

Information card for entry 7158620

Preview

Coordinates	7158620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H25 N O5
Calculated formula	C13 H25 N O5
Title of publication	Total synthesis and stereochemical assignment of bipolamide A acetate.
Authors of publication	Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	20
Journal issue	16
Pages of publication	3348 - 3358
a	10.7002 ± 0.0011 Å
b	6.0652 ± 0.0007 Å
c	11.85 ± 0.0012 Å
α	90°
β	99.659 ± 0.003°
γ	90°
Cell volume	758.15 ± 0.14 Å³
Cell temperature	126 ± 2 K
Ambient diffraction temperature	126.44 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	0.054
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.157
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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