Crystallography Open Database

Information card for entry 1516753

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Structure parameters

Formula	C35 H59 N O2 Si2
Calculated formula	C35 H59 N O2 Si2
SMILES	c12ccccc1cc1[C@@]3([C@]4(CC[C@@H]([C@@]([C@@H]4CC[C@H]3Cn21)(C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)C
Title of publication	Indole diterpenoid synthetic studies. The total synthesis of (+)-nodulisporic acid F.
Authors of publication	Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	8
Pages of publication	1665 - 1668
a	7.6565 ± 0.0005 Å
b	16.5845 ± 0.0011 Å
c	27.3457 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3472.3 ± 0.4 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	5
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	0.0553
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1516753.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516753.cif
118780	2014-06-30	cif/ Adding structures of 1516753 via cif-deposit CGI script.	1516753.cif