Crystallography Open Database

Information card for entry 4113084

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Structure parameters

Formula	C34 H36 O8
Calculated formula	C34 H36 O8
SMILES	c1c2cc(cc1OCc1cc3cc(c1)OCCC=CCCOc1cc(cc(c1)OCCC=CCCO3)CO2)C(=O)OC
Title of publication	On the Nature of Dendrimer Cross-Linking by Ring-Closing Metathesis
Authors of publication	James B. Beil; N. Gabriel Lemcoff; Steven C. Zimmerman
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	13576 - 13577
a	8.557 ± 0.0017 Å
b	13.017 ± 0.003 Å
c	14.182 ± 0.003 Å
α	95.851 ± 0.004°
β	94.257 ± 0.004°
γ	103.649 ± 0.004°
Cell volume	1519.2 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1061
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	0.833
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4113084.cif
201982	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4113084.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4113084.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113084.cif
65504	2012-09-05	cif/ Adding structures of 4113084 via cif-deposit CGI script.	4113084.cif