Crystallography Open Database

Information card for entry 7159317

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Coordinates	7159317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 N8 O12
Calculated formula	C32 H40 N8 O12
Title of publication	From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.
Authors of publication	Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	20
Pages of publication	4200 - 4205
a	4.8265 ± 0.0007 Å
b	11.8034 ± 0.0018 Å
c	16.146 ± 0.002 Å
α	74.98 ± 0.012°
β	85.102 ± 0.012°
γ	79.447 ± 0.012°
Cell volume	872.7 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1726
Residual factor for significantly intense reflections	0.1206
Weighted residual factors for significantly intense reflections	0.2821
Weighted residual factors for all reflections included in the refinement	0.3346
Goodness-of-fit parameter for all reflections included in the refinement	1.376
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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