Crystallography Open Database

Information card for entry 4034244

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Structure parameters

Formula	C40 H62 N2 O6 Si
Calculated formula	C40 H62 N2 O6 Si
SMILES	[Si](O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]1O[C@]3(N(CCCC3)C(=O)OCc3ccc(N(=O)=O)cc3)[C@H]([C@H]21)C)C)C)(C)(C)C(C)(C)C
Title of publication	Access to 27-Nortomatidine and 27-Norsoladulcidine Derivatives.
Authors of publication	Czajkowska-Szczykowska, Dorota; Corona Díaz, Alejandro; Aleksiejczuk, Grzegorz; López Castro, Yliana; Morzycki, Jacek W.
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	7
Pages of publication	4104 - 4111
a	6.5581 ± 0.0001 Å
b	7.3707 ± 0.0001 Å
c	39.7747 ± 0.0009 Å
α	90°
β	91.298 ± 0.002°
γ	90°
Cell volume	1922.13 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4034244.cif
222787	2019-11-04	cif/ Adding structures of 4034244 via cif-deposit CGI script.	4034244.cif