Crystallography Open Database

Information card for entry 7216861

Preview

Coordinates	7216861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H45 O11
Calculated formula	C34 H45 O11
Title of publication	Biocatalyst mediated functionalization of salannin, an insecticidal limonoid
Authors of publication	Haldar, Saikat; Kolet, Swati P.; Dandekar, Devdutta S.; Kale, Balaji S.; Gonnade, Rajesh G.; Thulasiram, Hirekodathakallu V.
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	53
Pages of publication	27661
a	10.6696 ± 0.0013 Å
b	13.6752 ± 0.0017 Å
c	11.3635 ± 0.0014 Å
α	90°
β	102.968 ± 0.006°
γ	90°
Cell volume	1615.7 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.151
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180499 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68.	7216861.cif
118239	2014-06-27	cif/ Adding structures of 7216861 via cif-deposit CGI script.	7216861.cif